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(3R,4R)-4-methyl-1'-spiro[2,4,5,6,7,8,9,10-octahydro-1H-benzo[8]annulene-3,2'-cyclohexane]one
SpectraBase Compound ID 7xIHpRCCdO3
InChI InChI=1S/C18H28O/c1-14-16-9-5-3-2-4-8-15(16)11-13-18(14)12-7-6-10-17(18)19/h14H,2-13H2,1H3/t14-,18-/m1/s1
InChIKey SQOJKMSJMAJFPY-RDTXWAMCSA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrfkME7L6zl
Name (3R,4R)-4-methyl-1'-spiro[2,4,5,6,7,8,9,10-octahydro-1H-benzo[8]annulene-3,2'-cyclohexane]one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O
InChI InChI=1S/C18H28O/c1-14-16-9-5-3-2-4-8-15(16)11-13-18(14)12-7-6-10-17(18)19/h14H,2-13H2,1H3/t14-,18-/m1/s1
InChIKey SQOJKMSJMAJFPY-RDTXWAMCSA-N
Molecular Weight 260.421 g/mol
SMILES [C@@]12([C@@](C=3CCCCCCC3CC2)(C)[H])C(=O)CCCC1
SPLASH splash10-0pbc-8950000000-eed040c11a8dd4dc147d
Source of Spectrum F4-0-2221-15
Synonyms (3R,4R)-4-methylspiro[2,4,5,6,7,8,9,10-octahydro-1H-benzocyclooctene-3,2'-cyclohexane]-1'-one (3R,4R)-4-methylspiro[2,4,5,6,7,8,9,10-octahydro-1H-benzo[8]annulene-3,2'-cyclohexane]-1'-one
Wiley ID 1620113