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1-Azulenepropanoic acid, 3,8-dimethyl-5-(1-methylethyl)-
SpectraBase Compound ID 4aCyLBWD7G
InChI InChI=1S/C18H22O2/c1-11(2)14-6-5-12(3)18-15(7-8-17(19)20)9-13(4)16(18)10-14/h5-6,9-11H,7-8H2,1-4H3,(H,19,20)
InChIKey LSXYBKRCYYVNNW-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOWEsBSXoX4
Name 1-Azulenepropanoic acid, 3,8-dimethyl-5-(1-methylethyl)-
CAS Registry Number 35336-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-11(2)14-6-5-12(3)18-15(7-8-17(19)20)9-13(4)16(18)10-14/h5-6,9-11H,7-8H2,1-4H3,(H,19,20)
InChIKey LSXYBKRCYYVNNW-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES OC(CCc1cc(C)c2cc(ccc(C)c12)C(C)C)=O
SPLASH splash10-03gi-9550000000-10cda71e2f5d14eb3fcc
Source of Spectrum EP-7335-0-0
Synonyms 3-(5-Isopropyl-3,8-dimethyl-1-azulenyl)propanoic acid 3-(3,8-dimethyl-5-propan-2-yl-1-azulenyl)propanoic acid 3-(3,8-dimethyl-5-propan-2-yl-azulen-1-yl)propanoic acid 3-(5-isopropyl-3,8-dimethyl-azulen-1-yl)propanoic acid 3-(5-isopropyl-3,8-dimethyl-azulen-1-yl)propionic acid
Wiley ID 1274838