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methyl 3-isopropyl-1H-cyclopenta[a]azulene-9-carboxylate
SpectraBase Compound ID 3IUgQvcfwTW
InChI InChI=1S/C18H18O2/c1-11(2)12-9-10-15-16(12)13-7-5-4-6-8-14(13)17(15)18(19)20-3/h4-9,11H,10H2,1-3H3
InChIKey ZEZMNSCDQQZAHO-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYGD7c2yj7
Name methyl 3-isopropyl-1H-cyclopenta[a]azulene-9-carboxylate
Alternate Name(s) Methyl 3-isopropyl-1H-cyclohepta[a]azulene-9-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-11(2)12-9-10-15-16(12)13-7-5-4-6-8-14(13)17(15)18(19)20-3/h4-9,11H,10H2,1-3H3
InChIKey ZEZMNSCDQQZAHO-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES c12c(c(C(=O)OC)c3c2ccccc3)CC=C1C(C)C
SPLASH splash10-00xr-0090000000-8543934c6b77b03d0ce7
Source of Spectrum AJ-65-2129-5
Wiley ID 771451