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4H-1-Benzopyran-3-carboxylic acid, 2-(cyclohexylidenemethyl)-4-oxo-, methyl ester

View entire compound with spectra: 1 MS (GC)

4H-1-Benzopyran-3-carboxylic acid, 2-(cyclohexylidenemethyl)-4-oxo-, methyl ester
SpectraBase Compound ID E95GH4ERxRH
InChI InChI=1S/C18H18O4/c1-21-18(20)16-15(11-12-7-3-2-4-8-12)22-14-10-6-5-9-13(14)17(16)19/h5-6,9-11H,2-4,7-8H2,1H3
InChIKey YBOQYKWLFCMKPA-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzaECG4HTNG
Name 4H-1-Benzopyran-3-carboxylic acid, 2-(cyclohexylidenemethyl)-4-oxo-, methyl ester
CAS Registry Number 83344-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-21-18(20)16-15(11-12-7-3-2-4-8-12)22-14-10-6-5-9-13(14)17(16)19/h5-6,9-11H,2-4,7-8H2,1H3
InChIKey YBOQYKWLFCMKPA-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES C1(=C(Oc2c(C1=O)cccc2)C=C1CCCCC1)C(=O)OC
SPLASH splash10-0109-0290000000-dec4ac3fc12f0125b82a
Source of Spectrum I-60-1999-0
Synonyms Methyl 2-(cyclohexylidenemethyl)-4-oxo-4H-chromene-3-carboxylate Methyl 2-cyclohexylidenylchromone-3-carboxylate
Wiley ID 1301073