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 Google Search
Mol Weight	200.3 g/mol
Molecular Formula	C10H16O2S
Exact Mass	200.087101 g/mol

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SpectraBase Spectrum ID	B9ENIK5Ou7C
Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(butylthio)-
Alternate Name(s)	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
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	splash10-0006-9000000000-27008a34b0e3cc8a3d02
Source of Spectrum	J-56-315-25
Wiley ID	1197362