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2-Thiabicyclo[3.1.0]hex-3-ene-6-carboxylic acid, 1,3-dimethyl-, methyl ester
SpectraBase Compound ID 3Ni1uB9QLmF
InChI InChI=1S/C9H12O2S/c1-5-4-6-7(8(10)11-3)9(6,2)12-5/h4,6-7H,1-3H3
InChIKey DUSUDXWPKQNEEA-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AKdaGXlF99
Name 2-Thiabicyclo[3.1.0]hex-3-ene-6-carboxylic acid, 1,3-dimethyl-, methyl ester
CAS Registry Number 56666-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-5-4-6-7(8(10)11-3)9(6,2)12-5/h4,6-7H,1-3H3
InChIKey DUSUDXWPKQNEEA-UHFFFAOYSA-N
Molecular Weight 184.253 g/mol
SMILES C(OC)(=O)C1C2(C)SC(=CC12)C
SPLASH splash10-00di-9000000000-f0007c159491614bcb9c
Source of Spectrum EP-5656-0-0
Synonyms Methyl 1,3-dimethyl-2-thiabicyclo[3.1.0]hex-3-ene-6-carboxylate Methyl 3,5-dimethyl-4-thiabicyclo[3.1.0]hex-2-ene-6-carboxylate
Wiley ID 1180290