cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.17902173
title: Review of Law & Policy, Procedural, and Literature sources for the development of the ENFORCE Environmental Compliance Framework

description: This dataset consolidates the evidence base developed within ENFORCE Work Package 2 for Deliverable 2.1 and brings together the outputs of Task 2.1, Task 2.2, and Task 2.3. It is provided as a single, structured Excel table designed to collect and harmonise contributions from all consortium partners. The dataset covers three main areas: academic literature, European Union and national policy and legislative frameworks relevant to environmental compliance; procedural law, case law, and legal sources addressing the use of citizen science as evidence for compliance assurance; and academic and grey literature examining the role of citizen science in environmental compliance. It includes bibliographic references, legal and policy documents, procedural law materials, and citations of jurisprudence. The data are primarily textual and are complemented by structured identifiers such as digital object identifiers, publication years, and court or case references.

Inputs from all partners involved in Tasks 2.1 to 2.3 are integrated into a single evidence repository, supporting comparative analysis across jurisdictions and thematic areas that contribute to the ENFORCE conceptual framework. The dataset contains no personal data and raises no ethical concerns. Overall, the dataset functions as the central evidence base for the assessment of legal, procedural, and knowledge frameworks supporting environmental compliance within Work Package 2. It underpins systematic desk research, comparative review, and the integration of policy, legal, and scholarly sources, thereby supporting the project’s broader objectives on compliance assurance.
DOI: 10.15468/dl.br8tn8
title: Occurrence Download

description: A dataset containing 87 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "Continent is Europe",
 "OccurrenceStatus is Present",
 "TaxonKey is Toxicodendron radicans",
 "Year 1970-2026"
 ]
}

 The dataset includes 87 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013840-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.k4x3gg
title: Occurrence Download

description: A dataset containing 298 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Pontederia crassipes",
 "Country is Thailand",
 "HasCoordinate is true"
 ]
}

 The dataset includes 298 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013839-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aazyy6
title: Occurrence Download

description: A dataset containing 6578 species occurrences available in GBIF matching the query:
{
 "and" : [
 "ScientificName is Achillea macrophylla L.",
 "BasisOfRecord is Human Observation",
 "HasCoordinate is true"
 ]
}

 The dataset includes 6578 records from 51 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013841-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18267188
title: ЦИФРОВАЯ ТРАНСФОРМАЦИЯ В УПРАВЛЕНИЕ ЗЕМЕЛЬНЫМИ РЕСУРСАМИ

description: В работе рассматриваются современные аспекты цифровой трансформациив системе управления земельными ресурсами. Анализируется роль цифровых технологий в повышении эффективности учета, мониторинга и рационального использования земель. Особое внимание уделяется применению геоинформационных систем, технологий дистанционного зондирования Земли, цифровых кадастров и автоматизированных информационных систем в управлении земельными отношениями. Рассматриваются преимущества цифровизации, включая повышение прозрачности, точности данныхи оперативности принятия управленческих решений, а также основные проблемы и риски, связанные с внедрением цифровых решений. Делается вывод о том, что цифровая трансформация является ключевым фактором устойчивого развития территорий и совершенствования системы управления земельными ресурсами.
DOI: 10.5281/zenodo.18267187
title: ЦИФРОВАЯ ТРАНСФОРМАЦИЯ В УПРАВЛЕНИЕ ЗЕМЕЛЬНЫМИ РЕСУРСАМИ

description: В работе рассматриваются современные аспекты цифровой трансформациив системе управления земельными ресурсами. Анализируется роль цифровых технологий в повышении эффективности учета, мониторинга и рационального использования земель. Особое внимание уделяется применению геоинформационных систем, технологий дистанционного зондирования Земли, цифровых кадастров и автоматизированных информационных систем в управлении земельными отношениями. Рассматриваются преимущества цифровизации, включая повышение прозрачности, точности данныхи оперативности принятия управленческих решений, а также основные проблемы и риски, связанные с внедрением цифровых решений. Делается вывод о том, что цифровая трансформация является ключевым фактором устойчивого развития территорий и совершенствования системы управления земельными ресурсами.
DOI: 10.14272/xnxkzuvqmllodj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C112H92N12O8.Co/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xnxkzuvqmllodj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C112H92N12O8.Co/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/xnxkzuvqmllodj-uhfffaoysa-n/chmo0002914
title: absorption of material ()
title: InChI=1S/C112H92N12O8.Co/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for absorption of material
DOI: 10.14272/xnxkzuvqmllodj-uhfffaoysa-n.1
title: DBA-CoPc
title: InChI=1S/C112H92N12O8.Co/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

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/C112H92N12O8.Co/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2, and canonical SMILES descriptor[cheminf_000007]: O=C(N1c2ccccc2C=Cc2c1cccc2)CCCCCOc1ccc2c(c1)C1=Nc3c4ccc(cc4c4n3[Co@@]35N1=C2N=c1n5c(=NC2=N3C(=N4)c3c2cc(cc3)OCCCCCC(=O)N2c3ccccc3C=Cc3c2cccc3)c2c1cc(OCCCCCC(=O)N1c3ccccc3C=Cc3c1cccc3)cc2)OCCCCCC(=O)N1c2ccccc2C=Cc2c1cccc2, 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-50079

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0002914 | absorption of material
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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: 10.15468/dl.uj4nua
title: Occurrence Download

description: A dataset containing 6783 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Eucalyptus dalrympleana",
 "BasisOfRecord is one of (Human Observation)"
 ]
}

 The dataset includes 6783 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013844-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/muwpumybbofmcn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C112H92N12O8.Zn/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/muwpumybbofmcn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C112H92N12O8.Zn/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/muwpumybbofmcn-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C112H92N12O8.Zn/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/muwpumybbofmcn-uhfffaoysa-n.1
title: DBA-ZnPc
title: InChI=1S/C112H92N12O8.Zn/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

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/C112H92N12O8.Zn/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2, and canonical SMILES descriptor[cheminf_000007]: O=C(N1c2ccccc2C=Cc2c1cccc2)CCCCCOc1ccc2c(c1)C1=Nc3c4ccc(cc4c4n3[Zn@@]35N1=C2N=c1n5c(=NC2=N3C(=N4)c3c2cc(cc3)OCCCCCC(=O)N2c3ccccc3C=Cc3c2cccc3)c2c1cc(OCCCCCC(=O)N1c3ccccc3C=Cc3c1cccc3)cc2)OCCCCCC(=O)N1c2ccccc2C=Cc2c1cccc2, 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-50060

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/muwpumybbofmcn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C112H92N12O8.Zn/c125-101(121-93-37-17-9-29-73(93)49-50-74-30-10-18-38-94(74)121)45-5-1-25-65-129-81-57-61-85-89(69-81)109-113-105(85)118-110-91-71-83(131-67-27-3-7-47-103(127)123-97-41-21-13-33-77(97)53-54-78-34-14-22-42-98(78)123)59-63-87(91)107(115-110)120-112-92-72-84(132-68-28-4-8-48-104(128)124-99-43-23-15-35-79(99)55-56-80-36-16-24-44-100(80)124)60-64-88(92)108(116-112)119-111-90-70-82(58-62-86(90)106(114-111)117-109)130-66-26-2-6-46-102(126)122-95-39-19-11-31-75(95)51-52-76-32-12-20-40-96(76)122;/h9-24,29-44,49-64,69-72H,1-8,25-28,45-48,65-68H2;/q-2;+2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/mvtmdtpyfxhktk-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/mvtmdtpyfxhktk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mvtmdtpyfxhktk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mvtmdtpyfxhktk-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/mvtmdtpyfxhktk-uhfffaoysa-n.1
title: Di-DBA-Pht
title: InChI=1S/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2

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/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2, and canonical SMILES descriptor[cheminf_000007]: N#Cc1cc(OCCCCCC(=O)N2c3ccccc3C3C(c4c2cccc4)C2C3c3ccccc3N(c3c2cccc3)C(=O)CCCCCOc2ccc(c(c2)C#N)C#N)ccc1C#N, 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-50057

 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/mvtmdtpyfxhktk-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C56H46N6O4/c57-33-37-25-27-41(31-39(37)35-59)65-29-13-1-3-23-51(63)61-47-19-9-5-15-43(47)53-54(44-16-6-10-20-48(44)61)56-46-18-8-12-22-50(46)62(49-21-11-7-17-45(49)55(53)56)52(64)24-4-2-14-30-66-42-28-26-38(34-58)40(32-42)36-60/h5-12,15-22,25-28,31-32,53-56H,1-4,13-14,23-24,29-30H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/miwcyrzgzzucso-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C28H23N3O2/c29-19-23-15-16-25(18-24(23)20-30)33-17-7-1-2-12-28(32)31-26-10-5-3-8-21(26)13-14-22-9-4-6-11-27(22)31/h3-6,8-11,13-16,18H,1-2,7,12,17H2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/miwcyrzgzzucso-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H23N3O2/c29-19-23-15-16-25(18-24(23)20-30)33-17-7-1-2-12-28(32)31-26-10-5-3-8-21(26)13-14-22-9-4-6-11-27(22)31/h3-6,8-11,13-16,18H,1-2,7,12,17H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)