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5H-Inden-5-one, octahydro-3a-methyl-3-(phenylmethylene)-, (3E,3a.alpha.,7a.alpha.)-
SpectraBase Compound ID CyhBXK2ttLG
InChI InChI=1S/C17H20O/c1-17-12-16(18)10-9-14(17)7-8-15(17)11-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3/b15-11+/t14-,17+/m1/s1
InChIKey XUHMCZXMMBJQBH-XEFCPYKOSA-N
Mol Weight 240.35 g/mol
Molecular Formula C17H20O
Exact Mass 240.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID V6vFkycDBt
Name 5H-Inden-5-one, octahydro-3a-methyl-3-(phenylmethylene)-, (3E,3a.alpha.,7a.alpha.)-
Alternate Name(s) (3E,3aS,7aR)-3-benzylidene-3a-methyloctahydro-5H-inden-5-one E-1-benzylidene-8.beta.-methyl-9.beta.-hydrindan-6-one
CAS Registry Number 126790-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O
InChI InChI=1S/C17H20O/c1-17-12-16(18)10-9-14(17)7-8-15(17)11-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3/b15-11+/t14-,17+/m1/s1
InChIKey XUHMCZXMMBJQBH-XEFCPYKOSA-N
Molecular Weight 240.346 g/mol
SMILES [C@]12(\C(=C\c3ccccc3)CC[C@@]1(CCC(C2)=O)[H])C
SPLASH splash10-000x-8950000000-98cc790fbd882c1a6a6a
Source of Spectrum C-112-4005-0
Wiley ID 1243661