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6-tert-butyl-1-azulenecarboxylic acid methyl ester
SpectraBase Compound ID 5N2m5n52jjT
InChI InChI=1S/C16H18O2/c1-16(2,3)12-7-5-11-6-9-14(15(17)18-4)13(11)10-8-12/h5-10H,1-4H3
InChIKey PRXIPSIXSOETRK-UHFFFAOYSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlO6DlbljnP
Name 6-tert-butyl-1-azulenecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-16(2,3)12-7-5-11-6-9-14(15(17)18-4)13(11)10-8-12/h5-10H,1-4H3
InChIKey PRXIPSIXSOETRK-UHFFFAOYSA-N
Molecular Weight 242.318 g/mol
SMILES c12c(ccc2ccc(cc1)C(C)(C)C)C(=O)OC
SPLASH splash10-03di-0090000000-fa82efd5a20b50b15347
Source of Spectrum AJ-72-2547-14
Synonyms 6-tert-butylazulene-1-carboxylic acid methyl ester methyl 6-tert-butylazulene-1-carboxylate
Wiley ID 775172