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Hexanoic acid, 2-diazo-3-oxo-6-[(phenylmethyl)thio]-, ethyl ester
SpectraBase Compound ID BEprqrDVWkp
InChI InChI=1S/C15H18N2O3S/c1-2-20-15(19)14(17-16)13(18)9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKey DRBUKLWXWVADFR-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C15H18N2O3S
Exact Mass 306.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InHCJtWyd2r
Name Hexanoic acid, 2-diazo-3-oxo-6-[(phenylmethyl)thio]-, ethyl ester
CAS Registry Number 120571-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O3S
InChI InChI=1S/C15H18N2O3S/c1-2-20-15(19)14(17-16)13(18)9-6-10-21-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKey DRBUKLWXWVADFR-UHFFFAOYSA-N
Molecular Weight 306.380 g/mol
SMILES C(=[N+]=[N-])(C(=O)OCC)C(=O)CCCSCc1ccccc1
SPLASH splash10-0006-9010000000-321bbdc63d916c133f52
Source of Spectrum F-46-6513-7
Synonyms (Z)-2-diazonio-1-ethoxy-3-oxidanylidene-6-(phenylmethylsulfanyl)hex-1-en-1-olate (Z)-2-diazonio-1-ethoxy-3-oxo-6-(phenylmethylthio)-1-hexen-1-olate (Z)-6-(benzylthio)-2-diazonio-1-ethoxy-3-keto-hex-1-en-1-olate (Z)-6-benzylsulfanyl-2-diazonio-1-ethoxy-3-oxo-hex-1-en-1-olate Ethyl 6-(benzylsulfanyl)-2-diazo-3-oxohexanoate Ethyl 6-benzylthio-2-diazo-3-ozohexanoate (E)-2-diazonio-1-ethoxy-1-oxo-6-(phenylmethylthio)-2-hexen-3-olate (E)-6-benzylsulfanyl-2-diazonio-1-ethoxy-1-oxohex-2-en-3-olate (E)-6-benzylsulfanyl-2-diazonio-1-ethoxy-1-oxo-hex-2-en-3-olate (E)-2-diazonio-1-ethoxy-1-oxidanylidene-6-(phenylmethylsulfanyl)hex-2-en-3-olate
Wiley ID 1307855