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YWCDNPYVVGGCFN-UHFFFAOYSA-N

View entire compound with spectra: 3 NMR, and 1 MS (GC)

YWCDNPYVVGGCFN-UHFFFAOYSA-N
SpectraBase Compound ID 3cH2b0tBzdO
InChI InChI=1S/C15H16O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h4-9H,1-3H3,(H,16,17)
InChIKey YWCDNPYVVGGCFN-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COUCfJyP1nZ
Name Cadalen-15-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h4-9H,1-3H3,(H,16,17)
InChIKey YWCDNPYVVGGCFN-UHFFFAOYSA-N
Molecular Weight 228.291 g/mol
SMILES OC(c1cc2c(ccc(c2cc1)C)C(C)C)=O
SPLASH splash10-03fr-0290000000-7f8dc44fdce424000a0b
Source of Spectrum G4-64-863-1
Synonyms 5-Methyl-8-propan-2-yl-2-naphthalenecarboxylic acid 5-Methyl-8-propan-2-yl-naphthalene-2-carboxylic acid 8-isopropyl-5-methyl-2-naphthoic acid 8-isopropyl-5-methyl-naphthalene-2-carboxylic acid
Wiley ID 1609075