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5-(4-(octyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine

View entire compound with spectra: 1 MS (GC)

5-(4-(octyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
SpectraBase Compound ID 1K2eMaSO30E
InChI InChI=1S/C22H26N4OS/c1-2-3-4-5-6-7-16-27-20-10-8-19(9-11-20)21-25-26-22(28-21)24-17-18-12-14-23-15-13-18/h8-15,17H,2-7,16H2,1H3/b24-17+
InChIKey JSIVDPOILIMOPM-JJIBRWJFSA-N
Mol Weight 394.54 g/mol
Molecular Formula C22H26N4OS
Exact Mass 394.182733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sntIHQx2b7
Name 5-(4-(octyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
Alternate Name(s) (E)-5-(4-(octyloxy)phenyl)-N-(pyridin-4-ylmethylene)-1,3,4-thiadiazol-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N4OS
InChI InChI=1S/C22H26N4OS/c1-2-3-4-5-6-7-16-27-20-10-8-19(9-11-20)21-25-26-22(28-21)24-17-18-12-14-23-15-13-18/h8-15,17H,2-7,16H2,1H3/b24-17+
InChIKey JSIVDPOILIMOPM-JJIBRWJFSA-N
Literature Reference DOI 10.1002/cjoc.20010190912
Molecular Weight 394.537 g/mol
SMILES c1(nnc(\N=C\c2ccncc2)s1)-c1ccc(cc1)OCCCCCCCC
SPLASH splash10-0006-1139000000-cabf1e56f0867a4be050
Source of Spectrum CJC-19-872-Ie
Wiley ID 1773612