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2-Hexenediamide, N6-methyl-2-(methyl-d)-N1,N1-bis(1-methylethyl)-N6-phenyl-3-(phenylthio)-, (E)-
SpectraBase Compound ID JOoEt6j601T
InChI InChI=1S/C26H34N2O2S/c1-19(2)28(20(3)4)26(30)21(5)24(31-23-15-11-8-12-16-23)17-18-25(29)27(6)22-13-9-7-10-14-22/h7-16,19-20H,17-18H2,1-6H3/b24-21+
InChIKey QOPNEWCGTUEUSH-DARPEHSRSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H34N2O2S
Exact Mass 438.2341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18bykuJeCps
Name 2-Hexenediamide, N6-methyl-2-(methyl-d)-N1,N1-bis(1-methylethyl)-N6-phenyl-3-(phenylthio)-, (E)-
CAS Registry Number 106006-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N2O2S
InChI InChI=1S/C26H34N2O2S/c1-19(2)28(20(3)4)26(30)21(5)24(31-23-15-11-8-12-16-23)17-18-25(29)27(6)22-13-9-7-10-14-22/h7-16,19-20H,17-18H2,1-6H3/b24-21+
InChIKey QOPNEWCGTUEUSH-DARPEHSRSA-N
Molecular Weight 438.630 g/mol
SMILES C(\C(=C/(Sc1ccccc1)CCC(N(c1ccccc1)C)=O)C)(N(C(C)C)C(C)C)=O
SPLASH splash10-004i-9678000000-994106fc37a585254dda
Source of Spectrum J-52-224-34
Synonyms (2E)-N(1),N(1)-diisopropyl-N(6),2-dimethyl-N(6)-phenyl-3-(phenylsulfanyl)-2-hexenediamide (E)-4-(phenylthio)-5-(N,N-diisopropylcarbamoyl)-N-methyl-N-phenyl-4-hexenamide
Wiley ID 1384230