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4(1H)-Azulenone, 2,3,5,6-tetrahydro-5,5-dimethyl-
SpectraBase Compound ID HnkmJ3xulad
InChI InChI=1S/C12H16O/c1-12(2)8-4-6-9-5-3-7-10(9)11(12)13/h4,6H,3,5,7-8H2,1-2H3
InChIKey JINFIQORCBYSKJ-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTMjnNEmOa4
Name 4(1H)-Azulenone, 2,3,5,6-tetrahydro-5,5-dimethyl-
CAS Registry Number 125159-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-12(2)8-4-6-9-5-3-7-10(9)11(12)13/h4,6H,3,5,7-8H2,1-2H3
InChIKey JINFIQORCBYSKJ-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C1=2C(C(CC=CC2CCC1)(C)C)=O
SPLASH splash10-001i-1900000000-975706ea511b0f21d2a2
Source of Spectrum F-45-3759-19
Synonyms 5,5-Dimethyl-1,2,3,6-tetrahydro-4(5H)-azulenone 5,5-Dimethyl-1,2,3,6-tetrahydroazulen-4(5H)-one 5,5-Dimethyl-2,3,5,6-tetrahydro-4(1H)-azulenone
Wiley ID 1172742