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Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-acetyl-, methyl ester
SpectraBase Compound ID BFdfExfAaaR
InChI InChI=1S/C9H12O3/c1-6(10)8-3-9(4-8,5-8)7(11)12-2/h3-5H2,1-2H3
InChIKey ZFHWXHQNMAFOMH-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35g7c3iXtBm
Name Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-acetyl-, methyl ester
Alternate Name(s) Methyl 3-Acetylbicyclo[1.1.1]pentane-1-carboxylate
CAS Registry Number 131515-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-6(10)8-3-9(4-8,5-8)7(11)12-2/h3-5H2,1-2H3
InChIKey ZFHWXHQNMAFOMH-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C12(CC(C2)(C(=O)C)C1)C(=O)OC
SPLASH splash10-0006-9000000000-1c07ccb51a1211f27872
Source of Spectrum J-56-315-29
Wiley ID 1164390