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4-ketotetralin-5-carboxylic acid methyl ester
SpectraBase Compound ID DACq7ynlrO3
InChI InChI=1S/C12H12O3/c1-15-12(14)9-6-2-4-8-5-3-7-10(13)11(8)9/h2,4,6H,3,5,7H2,1H3
InChIKey QHMPIXAUILDPJX-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ap6qsWhTadi
Name 4-ketotetralin-5-carboxylic acid methyl ester
CAS Registry Number 71557-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-15-12(14)9-6-2-4-8-5-3-7-10(13)11(8)9/h2,4,6H,3,5,7H2,1H3
InChIKey QHMPIXAUILDPJX-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES c12c(C(=O)OC)cccc2CCCC1=O
SPLASH splash10-00or-0920000000-829f4b287e5915e64b51
Source of Spectrum K-112-2813-0
Synonyms 8-Oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid methyl ester Methyl 4-oxotetralin-5-carboxylate Methyl 8-oxidanylidene-6,7-dihydro-5H-naphthalene-1-carboxylate Methyl 8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylate
Wiley ID 1201812