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Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(butylthio)-
SpectraBase Compound ID 46ZNwNCdGVB
InChI InChI=1S/C10H16O2S/c1-2-3-4-13-10-5-9(6-10,7-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey IIBRJENPUZQXOS-UHFFFAOYSA-N
Mol Weight 200.3 g/mol
Molecular Formula C10H16O2S
Exact Mass 200.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j7Izg66TID
Name Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(butylthio)-
CAS Registry Number 131543-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2S
InChI InChI=1S/C10H16O2S/c1-2-3-4-13-10-5-9(6-10,7-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey IIBRJENPUZQXOS-UHFFFAOYSA-N
Molecular Weight 200.296 g/mol
SMILES OC(C12CC(C2)(SCCCC)C1)=O
SPLASH splash10-0002-9100000000-131e4a492e41a6fbdcf1
Source of Spectrum J-56-315-5
Synonyms 3-(butylsulfanyl)bicyclo[1.1.1]pentane-1-carboxylic acid 3-(butylthio)bicyclo[1.1.1]pentane-1-carboxylic acid Methyl 3-(acetylthio)bicyclo[1.1.1]pentane-1-carboxylate
Wiley ID 1197361