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Benzenepropanoic acid, .alpha.-diazo-.beta.-oxo-2-(phenylthio)-, ethyl ester
SpectraBase Compound ID 2gV6gWCeuhb
InChI InChI=1S/C17H14N2O3S/c1-2-22-17(21)15(19-18)16(20)13-10-6-7-11-14(13)23-12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey YZXMJMGIXFWYJY-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C17H14N2O3S
Exact Mass 326.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X6FGeoQvHn
Name Benzenepropanoic acid, .alpha.-diazo-.beta.-oxo-2-(phenylthio)-, ethyl ester
CAS Registry Number 131327-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O3S
InChI InChI=1S/C17H14N2O3S/c1-2-22-17(21)15(19-18)16(20)13-10-6-7-11-14(13)23-12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey YZXMJMGIXFWYJY-UHFFFAOYSA-N
Molecular Weight 326.370 g/mol
SMILES C(C(c1c(Sc2ccccc2)cccc1)=O)(=[N+]=[N-])C(=O)OCC
SPLASH splash10-004i-0690000000-baaf30ddc49f51798f28
Source of Spectrum F-46-6536-6
Synonyms Ethyl 2-diazo-3-oxo-3-(2-phenylthio)phenylpropanoate Ethyl 2-diazo-3-oxo-3-[2-(phenylsulfanyl)phenyl]propanoate
Wiley ID 1324625