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Chamazulene carboxylic acid
SpectraBase Compound ID EsTOO7k6cYc
InChI InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-8,11H,1-3H3,(H,16,17)/t11-/m0/s1
InChIKey VEHBLYQIKWPOQM-NSHDSACASA-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 HyPOlANfqeX
Name Chamazulene carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-8,11H,1-3H3,(H,16,17)/t11-/m0/s1
InChIKey VEHBLYQIKWPOQM-NSHDSACASA-N
Molecular Weight 228.291 g/mol
SMILES OC([C@](c1cc2c(ccc2C)c(cc1)C)(C)[H])=O
SPLASH splash10-0059-0970000000-2a6d502f29870f6bc608
Source of Spectrum G4-69-1044-1
Synonyms (2S)-2-(3,8-dimethyl-5-azulenyl)propanoic acid (2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid
Wiley ID 1694445