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1H,5H-Furo[3,4-e][1,4]thiazepine-3-carboxylic acid, 6,8-dihydro-8-oxo-
SpectraBase Compound ID 89jiZWgLZgc
InChI InChI=1S/C8H7NO4S/c10-7(11)5-1-9-6-4(3-14-5)2-13-8(6)12/h1,9H,2-3H2,(H,10,11)
InChIKey MZCBVPTZOBSRQL-UHFFFAOYSA-N
Mol Weight 213.21 g/mol
Molecular Formula C8H7NO4S
Exact Mass 213.009579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4YAwKVy73n
Name 1H,5H-Furo[3,4-e][1,4]thiazepine-3-carboxylic acid, 6,8-dihydro-8-oxo-
Alternate Name(s) 8-Oxo-1,4,5,6-tetrahydro-furo[3,4-e][1,4]thiazepine-3-carboxylic acid 8-Oxo-6,8-dihydro-1H,5H-furo[3,4-e][1,4]thiazepine-3-carboxylic acid
CAS Registry Number 64931-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4S
InChI InChI=1S/C8H7NO4S/c10-7(11)5-1-9-6-4(3-14-5)2-13-8(6)12/h1,9H,2-3H2,(H,10,11)
InChIKey MZCBVPTZOBSRQL-UHFFFAOYSA-N
Molecular Weight 213.207 g/mol
SMILES N1C=C(C(=O)O)SCC2=C1C(OC2)=O
SPLASH splash10-001i-3900000000-2cdab7a9c9e2462f3e50
Source of Spectrum H-60-2081-0
Wiley ID 1212332