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trans-Octahydro-8a-methyl-1-(phenylmethylene)azulen-4(1H)-4-one
SpectraBase Compound ID 3v3b1SovGnQ
InChI InChI=1S/C18H22O/c1-18-12-6-5-9-17(19)16(18)11-10-15(18)13-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3/b15-13+/t16-,18+/m1/s1
InChIKey SNVTWFKBZUZSJZ-RABPLZDSSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAwEeYYN9Js
Name trans-Octahydro-8a-methyl-1-(phenylmethylene)azulen-4(1H)-4-one
Alternate Name(s) (1E,3aS,8aR)-1-benzylidene-8a-methyloctahydro-4(1H)-azulenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O
InChI InChI=1S/C18H22O/c1-18-12-6-5-9-17(19)16(18)11-10-15(18)13-14-7-3-2-4-8-14/h2-4,7-8,13,16H,5-6,9-12H2,1H3/b15-13+/t16-,18+/m1/s1
InChIKey SNVTWFKBZUZSJZ-RABPLZDSSA-N
Molecular Weight 254.373 g/mol
SMILES [C@@]12(\C(=C\c3ccccc3)CC[C@@]1(C(=O)CCCC2)[H])C
SPLASH splash10-0k96-8960000000-4ad0e730aa9bc0358366
Source of Spectrum J-57-1442-57
Wiley ID 1258398