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(1R*,5S*)-3-Formyl-5-hydroxy-1-(3-methylbut-2-enyl)-cyclopent-2-ene-1-carboxylic acid
SpectraBase Compound ID Ct3q9Pd0t2Z
InChI InChI=1S/C12H16O4/c1-8(2)3-4-12(11(15)16)6-9(7-13)5-10(12)14/h3,6-7,10,14H,4-5H2,1-2H3,(H,15,16)/t10-,12+/m0/s1
InChIKey CSSWNGXGRIVQEO-CMPLNLGQSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qvabO3UY5P
Name (1R*,5S*)-3-Formyl-5-hydroxy-1-(3-methylbut-2-enyl)-cyclopent-2-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(2)3-4-12(11(15)16)6-9(7-13)5-10(12)14/h3,6-7,10,14H,4-5H2,1-2H3,(H,15,16)/t10-,12+/m0/s1
InChIKey CSSWNGXGRIVQEO-CMPLNLGQSA-N
Literature Reference DOI 10.1002/anie.201104391
Molecular Weight 224.256 g/mol
SMILES O[C@]1(CC(=C[C@]1(C(O)=O)CC=C(C)C)C=O)[H]
SPLASH splash10-07yl-6900000000-05b84be08852bcd28910
Source of Spectrum ACI-50-SM7-6
Synonyms (1R,5S)-3-formyl-5-hydroxy-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carboxylic acid
Wiley ID 1780080