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2-Butanone, 4-(2,3,3a,6,7,7a-hexahydro-3a-hydroxy-1H-inden-5-yl)-, cis-
SpectraBase Compound ID 7zrDc7wQIBB
InChI InChI=1S/C13H20O2/c1-10(14)4-5-11-6-7-12-3-2-8-13(12,15)9-11/h9,12,15H,2-8H2,1H3/t12-,13-/m1/s1
InChIKey PIHNIOUMASZPJI-CHWSQXEVSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JVDi1vS0BD
Name 2-Butanone, 4-(2,3,3a,6,7,7a-hexahydro-3a-hydroxy-1H-inden-5-yl)-, cis-
Alternate Name(s) 4-[(3aS,7aR)-3a-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]-2-butanone 7,7a-dihydro-7b.beta.-hydroxy-5-(butan-3-one-yl)4-en-6H-indane
CAS Registry Number 67884-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-10(14)4-5-11-6-7-12-3-2-8-13(12,15)9-11/h9,12,15H,2-8H2,1H3/t12-,13-/m1/s1
InChIKey PIHNIOUMASZPJI-CHWSQXEVSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@@]12C=C(CCC(=O)C)CC[C@]2(CCC1)[H]
SPLASH splash10-014j-0900000000-5a0dcd89ff0cb7c0e8e3
Source of Spectrum C-100-5522-0
Wiley ID 1207149