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(-)-(1S,2R,5R,6S,7R)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
SpectraBase Compound ID DQAp7JQRCF7
InChI InChI=1S/C17H18O2/c1-11-15-13-7-8-14(9-13)17(15,16(18)19-11)10-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13+,14-,15+,17-/m1/s1
InChIKey RVVNKRWADBUKQH-MOVJQLJTSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D7xaslPTtl
Name (-)-(1S,2R,5R,6S,7R)-2-benzyl-5-methyl-4-oxatricyclo[5.2.1.0(2,6)]dec-8-en-3-one
CAS Registry Number 115093-28-2
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-11-15-13-7-8-14(9-13)17(15,16(18)19-11)10-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13+,14-,15+,17-/m1/s1
InChIKey RVVNKRWADBUKQH-MOVJQLJTSA-N
Molecular Weight 254.329 g/mol
SMILES [C@]12(C(O[C@@]([C@]2([C@]2(C=C[C@@]1(C2)[H])[H])[H])(C)[H])=O)Cc1ccccc1
SPLASH splash10-004l-9000000000-278efdf9c414c73d4a01
Source of Spectrum J-53-4395-10
Wiley ID 1258249