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Hexanediamide, N6-methyl-2-methylene-N1,N1-bis(1-methylethyl)-N6-phenyl-3-(phenylthio)-
SpectraBase Compound ID Hu5e3BuCM1N
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/h7-16,19-20,24H,5,17-18H2,1-4,6H3
InChIKey YYMJRVQKZBLBLV-UHFFFAOYSA-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 SeHGyOyzJh
Name Hexanediamide, N6-methyl-2-methylene-N1,N1-bis(1-methylethyl)-N6-phenyl-3-(phenylthio)-
CAS Registry Number 105970-72-7
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/h7-16,19-20,24H,5,17-18H2,1-4,6H3
InChIKey YYMJRVQKZBLBLV-UHFFFAOYSA-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 splash10-05ai-9411000000-ab76d8af61af1a1538ba
Source of Spectrum J-52-222-10
Synonyms 4-(Phenylthio)-5-(N,N-diisopropylcarbamoyl)-N-methyl-N-phenyl-5-hexenamide N(1),N(1)-diisopropyl-N(6)-methyl-2-methylene-N(6)-phenyl-3-(phenylsulfanyl)hexanediamide
Wiley ID 1384228