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5-(4-(heptyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
SpectraBase Compound ID JMfzrnCT7CH
InChI InChI=1S/C21H24N4OS/c1-2-3-4-5-6-15-26-19-9-7-18(8-10-19)20-24-25-21(27-20)23-16-17-11-13-22-14-12-17/h7-14,16H,2-6,15H2,1H3/b23-16+
InChIKey DNVZUIZZCPYFEA-XQNSMLJCSA-N
Mol Weight 380.51 g/mol
Molecular Formula C21H24N4OS
Exact Mass 380.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oKuiAB8yUa
Name 5-(4-(heptyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
Alternate Name(s) (E)-5-(4-(heptyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N4OS
InChI InChI=1S/C21H24N4OS/c1-2-3-4-5-6-15-26-19-9-7-18(8-10-19)20-24-25-21(27-20)23-16-17-11-13-22-14-12-17/h7-14,16H,2-6,15H2,1H3/b23-16+
InChIKey DNVZUIZZCPYFEA-XQNSMLJCSA-N
Literature Reference DOI 10.1002/cjoc.20010190912
Molecular Weight 380.510 g/mol
SMILES c1(nnc(\N=C\c2ccncc2)s1)-c1ccc(cc1)OCCCCCCC
SPLASH splash10-001i-1039000000-6c52efd8b24cf6ad1e75
Source of Spectrum CJC-19-872-Id
Wiley ID 1773611