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6-Nitro-9-oxodecanethioic acid S-phenyl ester
SpectraBase Compound ID 6j5elDYK3UG
InChI InChI=1S/C16H21NO4S/c1-13(18)11-12-14(17(20)21)7-5-6-10-16(19)22-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-12H2,1H3
InChIKey PBXHGMWDTGQFTG-UHFFFAOYSA-N
Mol Weight 323.41 g/mol
Molecular Formula C16H21NO4S
Exact Mass 323.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8h9nEKX6I54
Name 6-Nitro-9-oxodecanethioic acid S-phenyl ester
CAS Registry Number 87298-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4S
InChI InChI=1S/C16H21NO4S/c1-13(18)11-12-14(17(20)21)7-5-6-10-16(19)22-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-12H2,1H3
InChIKey PBXHGMWDTGQFTG-UHFFFAOYSA-N
Molecular Weight 323.407 g/mol
SMILES C(N(=O)=O)(CCC(=O)C)CCCCC(Sc1ccccc1)=O
SPLASH splash10-0006-9100000000-bd9f12522634307ff3a1
Source of Spectrum H-66-1522-0
Synonyms 9-keto-6-nitro-decanethioic acid S-phenyl ester S-phenyl 6-nitro-9-oxidanylidene-decanethioate S-phenyl 6-nitro-9-oxo-decanethioate
Wiley ID 1322358