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3H-Benz[cd]azulene-9-propanoic acid, 4,5-dihydro-7-methyl-
SpectraBase Compound ID ChCB6DSUMXn
InChI InChI=1S/C17H18O2/c1-11-9-13(6-8-16(18)19)15-7-5-12-3-2-4-14(10-11)17(12)15/h5,7,9-10H,2-4,6,8H2,1H3,(H,18,19)
InChIKey LBONFGZTZAZOIY-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LR5z6FXbRq
Name 3H-Benz[cd]azulene-9-propanoic acid, 4,5-dihydro-7-methyl-
Alternate Name(s) 3-(7-Methyl-4,5-dihydro-3H-benzo[cd]azulen-9-yl)propanoic acid 7-Methyl-4,5-dihydro-3H-benz(cd)azulen-9-propanoic acid
CAS Registry Number 79209-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-11-9-13(6-8-16(18)19)15-7-5-12-3-2-4-14(10-11)17(12)15/h5,7,9-10H,2-4,6,8H2,1H3,(H,18,19)
InChIKey LBONFGZTZAZOIY-UHFFFAOYSA-N
Molecular Weight 254.329 g/mol
SMILES OC(CCc1c2c3c(cc(C)c1)CCCc3cc2)=O
SPLASH splash10-0i0r-0950000000-48baf323f424f6baf0c9
Source of Spectrum H-64-941-0
Wiley ID 1258233