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trans-N-Benzyl-4-methyl-6-methylene-5-tosylheptaneactam
SpectraBase Compound ID 1vwH0oH356A
InChI InChI=1S/C22H25NO3S/c1-16-9-11-20(12-10-16)27(25,26)22-17(2)13-21(24)23(14-18(22)3)15-19-7-5-4-6-8-19/h4-12,17,22H,3,13-15H2,1-2H3
InChIKey YCGGWIQRVOOXBM-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C22H25NO3S
Exact Mass 383.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RSK4cvGJR
Name trans-N-Benzyl-4-methyl-6-methylene-5-tosylheptaneactam
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3S
InChI InChI=1S/C22H25NO3S/c1-16-9-11-20(12-10-16)27(25,26)22-17(2)13-21(24)23(14-18(22)3)15-19-7-5-4-6-8-19/h4-12,17,22H,3,13-15H2,1-2H3
InChIKey YCGGWIQRVOOXBM-UHFFFAOYSA-N
Molecular Weight 383.506 g/mol
SMILES C1(S(c2ccc(C)cc2)(=O)=O)C(CN(Cc2ccccc2)C(CC1C)=O)=C
SPLASH splash10-0006-9000000000-e879fe893a2a7aa14913
Source of Spectrum J-61-5010-16
Synonyms 1-Benzyl-5-methyl-7-methylene-6-[(4-methylphenyl)sulfonyl]hexahydro-2H-azepin-2-one
Wiley ID 1361111