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7-(1-Methoxycarbonylethyl)bicyclo[4.1.0]heptane-7-carboxylic acid
SpectraBase Compound ID BBdT03T7HbP
InChI InChI=1S/C12H18O4/c1-7(10(13)16-2)12(11(14)15)8-5-3-4-6-9(8)12/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKey ZAVDCXZNZKJPDK-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2D7qtmq18U
Name 7-(1-Methoxycarbonylethyl)bicyclo[4.1.0]heptane-7-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7(10(13)16-2)12(11(14)15)8-5-3-4-6-9(8)12/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKey ZAVDCXZNZKJPDK-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC(C1(C2CCCCC12)C(C)C(=O)OC)=O
SPLASH splash10-05x4-6900000000-1dd517840e7cf3aacdbb
Source of Spectrum KC-60-479-2
Synonyms 7-(2-Methoxy-1-methyl-2-oxoethyl)bicyclo[4.1.0]heptane-7-carboxylic acid
Wiley ID 1583002