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JLFOFQQASSASLV-UHFFFAOYSA-N

View entire compound with spectra: 4 NMR, and 2 MS (GC)

JLFOFQQASSASLV-UHFFFAOYSA-N
SpectraBase Compound ID 8bblXuAkwNH
InChI InChI=1S/C7H10O2/c1-9-6(8)7-2-5(3-7)4-7/h5H,2-4H2,1H3
InChIKey JLFOFQQASSASLV-UHFFFAOYSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gHWDBNoNdI
Name Methyl bicyclo[1.1.1]pentane-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-9-6(8)7-2-5(3-7)4-7/h5H,2-4H2,1H3
InChIKey JLFOFQQASSASLV-UHFFFAOYSA-N
Molecular Weight 126.155 g/mol
SMILES C12(C(=O)OC)CC(C2)C1
SPLASH splash10-014i-9200000000-4ec0220b6ba7cf8c41a4
Source of Spectrum C-114-613-1
Synonyms 3-bicyclo[1.1.1]pentanecarboxylic acid methyl ester bicyclo[1.1.1]pentane-3-carboxylic acid methyl ester Methyl bicyclo[1.1.1]pentane-1-carboxylate Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester Methyl bicyclo[1.1.1]pentane-3-carboxylate
Wiley ID 1129962