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1H-Inden-1-one, 3-methyl-5-(3-methyl-1-azulenyl)-
SpectraBase Compound ID KREnAIn4iDj
InChI InChI=1S/C21H16O/c1-13-10-20(17-7-5-3-4-6-16(13)17)15-8-9-18-19(12-15)14(2)11-21(18)22/h3-12H,1-2H3
InChIKey TXBZTVVNVKQBEQ-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C21H16O
Exact Mass 284.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbYgsUNHKlx
Name 1H-Inden-1-one, 3-methyl-5-(3-methyl-1-azulenyl)-
CAS Registry Number 115349-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O
InChI InChI=1S/C21H16O/c1-13-10-20(17-7-5-3-4-6-16(13)17)15-8-9-18-19(12-15)14(2)11-21(18)22/h3-12H,1-2H3
InChIKey TXBZTVVNVKQBEQ-UHFFFAOYSA-N
Molecular Weight 284.358 g/mol
SMILES c1(c2c(ccccc2)c(c1)C)-c1cc2C(=CC(c2cc1)=O)C
SPLASH splash10-001i-0090000000-36d3f86dc5fda4c7b945
Source of Spectrum AJ-60-3728-1
Synonyms 3-Methyl-5-(3-methyl-1-azulenyl)-1H-inden-1-one
Wiley ID 1288601