cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3036 (w), 1602 (vw), 1531 (w), 1507 (w), 1475 (w), 1448 (w), 1419 (w), 1344 (w), 1334 (w), 1286 (w), 1272 (w), 1256 (w), 1208 (w), 1177 (vw), 1162 (w), 1081 (w), 1067 (w), 1041 (w), 1027 (w), 936 (w), 909 (w), 803 (vs), 768 (m), 748 (w), 711 (vs), 687 (vs), 620 (w), 611 (w), 572 (w), 534 (w), 507 (m), 426 (m) cm–1.
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 145.4 (Cq), 144.6 (Cq), 133.8 (Cq), 128.6 (CH, 2C), 127.7 (CH), 127.7 (CH), 125.8 (CH, 2C), 123.2 (CH), 121.9 (Cq), 116.7 (CH), 107.8 (CH), 18.0 (CH3).
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.95–7.92 (m, 2H), 7.82 (dt, J = 1.9, 1.1 Hz, 1H), 7.71 (d, J = 0.5 Hz, 1H), 7.52 (d, J = 9.3 Hz, 1H), 7.44–7.40 (m, 2H), 7.33–7.29 (m, 1H), 6.99 (dd, J = 1.7 Hz, J = 9.0 Hz, 1H), 2.27 (d, J = 1.2 Hz, 3H).
DOI: 10.14272/gyozqhdhgjdziq-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (6-methyl-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H12N2/c1-11-7-8-14-15-13(10-16(14)9-11)12-5-3-2-4-6-12/h2-10H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -114.07.
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3157 (w), 3063 (w), 2944 (w), 2918 (w), 2894 (w), 2854 (w), 1579 (w), 1547 (w), 1534 (w), 1504 (w), 1477 (vs), 1442 (w), 1418 (m), 1366 (w), 1347 (s), 1276 (w), 1264 (w), 1213 (vs), 1198 (m), 1149 (w), 1106 (w), 1071 (m), 1028 (m), 949 (w), 936 (w), 844 (w), 810 (m), 798 (vs), 766 (vs), 744 (vs), 713 (vs), 671 (m), 664 (s), 619 (w), 574 (m), 530 (s), 513 (w), 473 (s), 441 (w), 426 (s), 407 (w) cm–1.
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 160.2 (d, J = 248.1 Hz), 143.9, 138.8 (d, J = 2.3 Hz), 128.7 (d, J = 8.5 Hz), 128.7 (d, J = 3.9 Hz), 128.1, 124.4 (d, J = 3.9 Hz), 123.3, 122.0, 121.6 (d, J = 12.3 Hz), 116.7, 115.6 (d, J = 21.6 Hz), 111.8 (d, J = 15.4 Hz), 18.0. Impurities: 26.87 ppm (cyclohexane).
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.37–8.32 (m, 1H), 7.95 (d, J = 4.0 Hz, 1H), 7.89 (t, J = 0.7 Hz, 1H), 7.53 (d, J = 9.2 Hz, 1H), 7.31–7.23 (m, 2H), 7.16–7.11 (m, 1H), 7.02 (dd, J = 1.7 Hz, J = 9.2 Hz, 1H), 2.30 (d, J = 1.0 Hz, 3H). Impurities: 1.43 ppm (cyclohexane).
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 40 °C), m/z (%): 260 (13), 226 (100) [M]+, 225 (12), 123 (10), 85 (13), 58 (17).HRMS–EI (C14H11N2F) (m/z): [M]+ Calcd 226.0901; Found 226.0900.
DOI: 10.14272/qynfyzimarebrw-uhfffaoysa-n.1
title: 2-(2-fluorophenyl)-6-methyl-imidazo[1,2-a]pyridine
title: InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3

description: This dataset contains experimental data from a sample (2-(2-fluorophenyl)-6-methylimidazo[1,2-a]pyridine, InChI=1S/C14H11FN2/c1-10-6-7-14-16-13(9-17(14)8-10)11-4-2-3-5-12(11)15/h2-9H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) correlation spectroscopy (COSY) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 90 °C), m/z (%): 260/262 (100/31) [M]+,.HRMS–EI (C14H10N2ClF) (m/z): [M]+ Calcd 260.0511; Found 260.0510.
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.96–7.91 (m, 2H), 7.82 (t, J = 1.2 Hz, 1H), 7.75 (s, 1H), 7.14–7.08 (m, 3H), 2.31 (d, J = 1.0 Hz, 3H). Impurities: 0.08 ppm (silicon grease).
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3131 (w), 3080 (w), 3054 (w), 3040 (w), 2953 (w), 2919 (w), 1596 (w), 1548 (w), 1526 (m), 1499 (w), 1477 (s), 1449 (m), 1411 (s), 1377 (w), 1356 (w), 1343 (m), 1293 (w), 1282 (w), 1271 (w), 1211 (vs), 1157 (s), 1123 (w), 1099 (s), 1078 (m), 1041 (w), 1021 (m), 989 (w), 969 (w), 943 (w), 902 (s), 881 (m), 867 (m), 854 (vs), 823 (vs), 805 (vs), 738 (vs), 703 (vs), 674 (m), 662 (s), 633 (m), 605 (m), 569 (m), 543 (s), 531 (vs), 513 (s), 494 (m), 463 (w), 436 (w), 415 (s), 405 (m), 387 (w) cm–1.
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -113.91.
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 162.8 (d, J = 246.6 Hz, Cq), 145.2 (Cq), 142.0 (Cq), 129.5 (d, J = 3.1 Hz, Cq), 127.9 (d, J = 8.5 Hz, CH, 2C), 126.7 (CH), 122.4 (Cq), 122.1 (Cq), 122.1 (CH), 115.5 (d, J = 21.6 Hz, CH, 2C), 109.1 (CH), 17.9 (CH3).
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n.1
title: 8-chloro-2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridine
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: This dataset contains experimental data from a sample (InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) correlation spectroscopy (COSY) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/cfzosnjutxjgrx-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C14H10ClFN2/c1-9-6-12(15)14-17-13(8-18(14)7-9)10-2-4-11(16)5-3-10/h2-8H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3135 (w), 3029 (w), 1628 (w), 1520 (w), 1497 (w), 1473 (m), 1442 (w), 1366 (m), 1341 (w), 1332 (w), 1302 (w), 1252 (m), 1215 (w), 1198 (m), 1146 (m), 1079 (w), 1071 (w), 975 (m), 932 (m), 916 (m), 868 (w), 851 (w), 764 (vs), 722 (vs), 713 (vs), 691 (vs), 633 (m), 619 (w), 602 (w), 557 (w), 540 (w), 527 (s), 492 (w), 409 (w), 378 (w) cm–1.
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 70 °C), m/z (%): 228/230 (100/36) [M]+,.HRMS–EI (C13H9N2Cl) (m/z): [M]+ Calcd 228.0449; Found 228.0447.
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 146.3 (Cq), 143.0 (Cq), 133.1 (Cq), 128.6 (CH, 2C), 128.2 (CH), 126.3 (CH, 2C), 124.3 (CH), 123.6 (CH), 123.2 (Cq), 112.0 (CH), 109.6 (CH).
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n.1
title: 8-chloro-2-phenyl-imidazo[1,2-a]pyridine
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: This dataset contains experimental data from a sample (8-chloro-2-phenylimidazo[1,2-a]pyridine, InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) correlation spectroscopy (COSY) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.04 (dd, J = 1.0 Hz, J = 6.7 Hz, 1H), 8.00–7.98 (m, 2H), 7.89 (s, 1H), 7.46–7.42 (m, 2H), 7.37–7.32 (m, 1H), 7.23 (dd, J = 1.0 Hz, J = 7.3 Hz, 1H), 6.70 (t, J = 7.0 Hz, 1H). Impurities: 1.44 ppm (cyclohexane).
DOI: 10.14272/gsujvbydvuytad-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (8-chloro-2-phenylimidazo[1,2-a]pyridine)
title: InChI=1S/C13H9ClN2/c14-11-7-4-8-16-9-12(15-13(11)16)10-5-2-1-3-6-10/h1-9H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n.1
title: 2-(2-fluorophenyl)-8-methyl-imidazo[1,2-a]pyridine
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: This dataset contains experimental data from a sample (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine, InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) heteronuclear multiple bond coherence (HMBC) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 160.2 (d, J = 248.9 Hz, Cq), 145.3 (Cq), 138.4 (d, J = 2.3 Hz, Cq), 129.1 (d, J = 3.9 Hz, CH), 128.7 (d, J = 8.5 Hz, CH), 127.5 (Cq), 124.5 (CH), 124.4 (CH), 123.5 (CH), 121.7 (d, J = 13.1 Hz, Cq), 115.5 (d, J = 21.6 Hz, CH), 112.6 (CH), 112.4 (CH), 17.0 (CH3).
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F NMR (376 MHz, ppm) δ = -114.35.
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 8.46–8.41 (m, 1H), 8.04 (d, J = 4.0 Hz, 1H), 8.00 (dd, J = 0.4 Hz, J = 6.7 Hz, 1H), 7.32–7.25 (m, 2H), 7.19–7.11 (m, 1H), 6.97 (td, J = 1.1 Hz, J = 6.8 Hz, 1H), 6.69 (t, J = 6.8 Hz, 1H), 2.68 (s, 3H).
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3176 (vw), 2952 (vw), 2918 (vw), 1629 (w), 1609 (vw), 1572 (w), 1547 (vw), 1493 (w), 1480 (s), 1453 (w), 1441 (w), 1422 (w), 1377 (w), 1366 (m), 1347 (w), 1322 (w), 1269 (w), 1256 (w), 1208 (s), 1196 (m), 1164 (w), 1157 (w), 1111 (w), 1071 (m), 1037 (w), 1028 (w), 994 (vw), 942 (w), 878 (w), 864 (w), 816 (w), 764 (s), 741 (vs), 711 (vs), 671 (m), 653 (w), 640 (m), 608 (w), 592 (w), 567 (w), 540 (m), 511 (w), 504 (w), 466 (m), 439 (w), 419 (w), 412 (w), 401 (w), 387 (w) cm–1.
DOI: 10.14272/hfjdlahrmqhdeb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(2-fluorophenyl)-8-methylimidazo[1,2-a]pyridine)
title: InChI=1S/C14H11FN2/c1-10-5-4-8-17-9-13(16-14(10)17)11-6-2-3-7-12(11)15/h2-9H,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 226 (100) [M]+,.HRMS–EI (C14H11N2F) (m/z): [M]+ Calcd 226.0901; Found 226.0901.
DOI: 10.23729/86b3e079-25b4-450f-84a9-3260f26cb18c
title: 2023_Harmat_APSUSC

description: This data set contains the simulation input files, scripts, and figures data belonging to the publication Adam L. Harmat, Maria Morga, Jodie L. Lutkenhaus, Piotr Batys, and Maria Sammalkorpi. Molecular mechanisms of pH-tunable stability and surface coverage of polypeptide films. Applied Surface Science 615, 156331 (2023). DOI: https://doi.org/10.1016/j.apsusc.2023.156331 Please cite the above publication when using this data set! This work was supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project no. 346111 (M.S.), Business Finland Co-Innovation grant No. 3767/31/2019 (M.S.), the National Science Centre, Poland (grant no. 2018/31/D/ST5/01866) (P.B. and M.M.), and the U.S. National Science Foundation, grant No. 1905732 (J.L.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland, PLGrid Infrastructure (Poland), and RAMI - RawMatters Finland Infrastructure are also gratefully acknowledged.
DOI: 10.14272/sanqkcxadxgkqk-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-(2-fluorophenyl)imidazo[1,2-a]pyridine)
title: InChI=1S/C13H9FN2/c14-11-6-2-1-5-10(11)12-9-16-8-4-3-7-13(16)15-12/h1-9H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 212 (100) [M]+, 78 (11).HRMS–EI (C13H9N2F) (m/z): [M]+ Calcd 212.0744; Found 212.0743.