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(3aR,4R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-2-phenyl-4,7-methanoinden-1-one
SpectraBase Compound ID E8Lxb0feKzP
InChI InChI=1S/C16H16O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h1-5,9,11-13,15H,6-8H2/t11-,12+,13+,15-/m1/s1
InChIKey XTLYJISQRMJTKG-UKTARXLSSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUOmOZN5kjh
Name (3aR,4R,7S,7aR)-3a,4,5,6,7,7a-Hexahydro-2-phenyl-4,7-methanoinden-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O
InChI InChI=1S/C16H16O/c17-16-14(10-4-2-1-3-5-10)9-13-11-6-7-12(8-11)15(13)16/h1-5,9,11-13,15H,6-8H2/t11-,12+,13+,15-/m1/s1
InChIKey XTLYJISQRMJTKG-UKTARXLSSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202001374
Molecular Weight 224.303 g/mol
SMILES C1(=C[C@@]2([C@](C1=O)([C@]1(CC[C@@]2(C1)[H])[H])[H])[H])c1ccccc1
SPLASH splash10-0ab9-1920000000-99c01837c497d9420ef4
Source of Spectrum QE-26-SM5-13
Wiley ID 1841070