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CALAMUSTROPONE
SpectraBase Compound ID 1IxffGRCORi
InChI InChI=1S/C12H14O/c1-8-3-5-12-9(2)7-10(13)4-6-11(8)12/h4,6-8H,3,5H2,1-2H3
InChIKey MDFATIDEXXOYPV-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TTbbNVwh7j
Name 6(1H)-Azulenone, 2,3-dihydro-1,4-dimethyl-
Alternate Name(s) 1,4-Dimethyl-2,3-dihydro-6(1H)-azulenone
CAS Registry Number 77809-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-8-3-5-12-9(2)7-10(13)4-6-11(8)12/h4,6-8H,3,5H2,1-2H3
InChIKey MDFATIDEXXOYPV-UHFFFAOYSA-N
Molecular Weight 174.243 g/mol
SMILES C12=C(C=CC(C=C2C)=O)C(C)CC1
SPLASH splash10-001i-3900000000-e92bdabd33f5e24319d0
Source of Spectrum W5-0-0-0
Wiley ID 1171003