cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17891013
title: SCs_6AP

description: This repository contains the replication data and R code for the article:

“Spatial spillover and differential impacts of urban shrinkage on air pollutants: Implications for sustainable urban futures” (submitted to Earth’s Future).

 

###  System Requirements

• R (version 4.3.0 or higher)

• Required packages: sf, spdep, spatialreg, dplyr, readr, car

 

### Citation

If you use these data or scripts, please cite the associated article: Spatial spillover and differential impacts of urban shrinkage on air pollutants: Implications for sustainable urban futures. Earth's Future (Under Review).
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n.1
title: C90H42S18
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H, and canonical SMILES descriptor[cheminf_000007]: c1csc(c1)C#Cc1ccc(s1)c1ccc(s1)c1c(c2ccc(s2)c2ccc(s2)C#Cc2cccs2)c(c2ccc(s2)c2ccc(s2)C#Cc2cccs2)c(c(c1c1ccc(s1)c1ccc(s1)C#Cc1cccs1)c1ccc(s1)c1ccc(s1)C#Cc1cccs1)c1ccc(s1)c1ccc(s1)C#Cc1cccs1, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50924

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/wejfswqitpjmgl-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C90H42S18/c1-7-55(91-49-1)13-19-61-25-31-67(97-61)73-37-43-79(103-73)85-86(80-44-38-74(104-80)68-32-26-62(98-68)20-14-56-8-2-50-92-56)88(82-46-40-76(106-82)70-34-28-64(100-70)22-16-58-10-4-52-94-58)90(84-48-42-78(108-84)72-36-30-66(102-72)24-18-60-12-6-54-96-60)89(83-47-41-77(107-83)71-35-29-65(101-71)23-17-59-11-5-53-95-59)87(85)81-45-39-75(105-81)69-33-27-63(99-69)21-15-57-9-3-51-93-57/h1-12,25-54H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n.1
title: hexyl thiophene-2-carboxylate
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3, and canonical SMILES descriptor[cheminf_000007]: CCCCCCOC(=O)c1cccs1, and by the IUPAC name[cheminf_000107]: hexyl thiophene-2-carboxylate.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-51274

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/pjycyakgvczvqf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (hexyl thiophene-2-carboxylate)
title: InChI=1S/C11H16O2S/c1-2-3-4-5-8-13-11(12)10-7-6-9-14-10/h6-7,9H,2-5,8H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n.1
title: C36H34Br2S
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3, and canonical SMILES descriptor[cheminf_000007]: Brc1cccc(c1)c1sc(c(c1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1cccc(c1)Br, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-51166

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jubnqtrrcmjnok-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C36H34Br2S/c1-35(2,3)27-17-13-23(14-18-27)31-32(24-15-19-28(20-16-24)36(4,5)6)34(26-10-8-12-30(38)22-26)39-33(31)25-9-7-11-29(37)21-25/h7-22H,1-6H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n.1
title: C14H17BO2Se2
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3, and canonical SMILES descriptor[cheminf_000007]: CC1(C)OB(OC1(C)C)c1ccc([se]1)c1ccc[se]1, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50805

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gqrhbdrffibzhz-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H17BO2Se2/c1-13(2)14(3,4)17-15(16-13)12-8-7-11(19-12)10-6-5-9-18-10/h5-9H,1-4H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.34740/kaggle/dsv/14104240
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.14272/julwdngpioyhsr-uhfffaoysa-n.1
title: 2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]propanedinitrile
title: InChI=1S/C12H6N2S2/c13-7-9(8-14)6-10-3-4-12(16-10)11-2-1-5-15-11/h1-6H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H6N2S2/c13-7-9(8-14)6-10-3-4-12(16-10)11-2-1-5-15-11/h1-6H, and canonical SMILES descriptor[cheminf_000007]: N#CC(=Cc1ccc(s1)c1cccs1)C#N, and by the IUPAC name[cheminf_000107]: 2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]propanedinitrile.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50789

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations