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2(1H)-Azocinone, hexahydro-3-[(phenylmethyl)sulfinyl]-, (R*,R*)-
SpectraBase Compound ID JJpd9NZzm0I
InChI InChI=1S/C14H19NO2S/c16-14-13(9-5-2-6-10-15-14)18(17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)/t13-,18?/m1/s1
InChIKey HHSVHVKNFSJSLG-YJJYDOSJSA-N
Mol Weight 265.37 g/mol
Molecular Formula C14H19NO2S
Exact Mass 265.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BTlESRRUmx
Name 2(1H)-Azocinone, hexahydro-3-[(phenylmethyl)sulfinyl]-, (R*,R*)-
CAS Registry Number 78411-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO2S
InChI InChI=1S/C14H19NO2S/c16-14-13(9-5-2-6-10-15-14)18(17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)/t13-,18?/m1/s1
InChIKey HHSVHVKNFSJSLG-YJJYDOSJSA-N
Molecular Weight 265.371 g/mol
SMILES N1CCCCC[C@](C1=O)([S@@](Cc1ccccc1)=O)[H]
SPLASH splash10-0006-9010000000-b9f9d15a578e96465d8d
Source of Spectrum B-34-579-0
Synonyms (3R)-3-(benzylsulfinyl)hexahydro-2(1H)-azocinone 3-Benzylsulfinylhexahydroazocin-2(1H)-one (isomer a)
Wiley ID 1268896