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(3aR,6aR)-3a-Benzyl-hexahydropentalen-2-one
SpectraBase Compound ID K3ZBIbqHgCM
InChI InChI=1S/C15H18O/c16-14-9-13-7-4-8-15(13,11-14)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-,15-/m1/s1
InChIKey VHQCDNKFMWDJGZ-UKRRQHHQSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yrSg7wMpLp
Name (3aR,6aR)-3a-Benzyl-hexahydropentalen-2-one
Alternate Name(s) (3aR,6aR)-3a-benzylhexahydro-2(1H)-pentalenone 3a-Benzyl-hexahydropentalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O
InChI InChI=1S/C15H18O/c16-14-9-13-7-4-8-15(13,11-14)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-,15-/m1/s1
InChIKey VHQCDNKFMWDJGZ-UKRRQHHQSA-N
Molecular Weight 214.308 g/mol
SMILES [C@@]12([C@@](CC(C2)=O)(CCC1)[H])Cc1ccccc1
SPLASH splash10-000t-9100000000-1c1825c81cd6ccbf5daf
Source of Spectrum KC-61-10329-36
Wiley ID 1630984