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Hexanoic acid, 2-diazo-6-mercapto-3-oxo-, ethyl ester
SpectraBase Compound ID BosiQh8AMki
InChI InChI=1S/C8H12N2O3S/c1-2-13-8(12)7(10-9)6(11)4-3-5-14/h14H,2-5H2,1H3
InChIKey ZTRADNJWHHARKB-UHFFFAOYSA-N
Mol Weight 216.25 g/mol
Molecular Formula C8H12N2O3S
Exact Mass 216.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cq9dehGFKcg
Name Hexanoic acid, 2-diazo-6-mercapto-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 2-diazo-3-oxo-6-sulfanylhexanoate Ethyl 2-diazo-6-mercapto-3-pxphexanoate
CAS Registry Number 115399-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O3S
InChI InChI=1S/C8H12N2O3S/c1-2-13-8(12)7(10-9)6(11)4-3-5-14/h14H,2-5H2,1H3
InChIKey ZTRADNJWHHARKB-UHFFFAOYSA-N
Molecular Weight 216.255 g/mol
SMILES SCCCC(C(=[N+]=[N-])C(=O)OCC)=O
SPLASH splash10-0006-0900000000-84fae60c2f109e5a23b7
Source of Spectrum F-46-6508-2
Wiley ID 1214983