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Methyl ester of 3,5-dihydroxy-4-methyl-bicyclo(3.3.1)non-2-ene-2-carboxylic acid
SpectraBase Compound ID 2ROZVJFCTLG
InChI InChI=1S/C12H18O4/c1-7-10(13)9(11(14)16-2)8-4-3-5-12(7,15)6-8/h7-8,13,15H,3-6H2,1-2H3
InChIKey LAQDRPOCCCWWTJ-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 HQcgBYTRayz
Name Methyl ester of 3,5-dihydroxy-4-methyl-bicyclo(3.3.1)non-2-ene-2-carboxylic acid
Alternate Name(s) Methyl 3,5-dihydroxy-4-methylbicyclo[3.3.1]non-2-ene-2-carboxylate
CAS Registry Number 74262-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-10(13)9(11(14)16-2)8-4-3-5-12(7,15)6-8/h7-8,13,15H,3-6H2,1-2H3
InChIKey LAQDRPOCCCWWTJ-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC12CC(C(=C(C2C)O)C(=O)OC)CCC1
SPLASH splash10-0005-9000000000-ec325cedb183fcc74e8d
Source of Spectrum J-45-3537-0
Wiley ID 1227271