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6-Benzylidene-1,3,5-trimethyltricyclo[3.2.1.0(2,7)](7-deuterio)oct-3-en-8-one
SpectraBase Compound ID gJKccIGMME
InChI InChI=1S/C18H18O/c1-11-10-17(2)13(9-12-7-5-4-6-8-12)15-14(11)18(15,3)16(17)19/h4-10,14-15H,1-3H3/b13-9+/t14-,15-,17-,18+/m0/s1/i15D
InChIKey MYIVIKDGJPXSKI-NPBCULJNSA-N
Mol Weight 251.35 g/mol
Molecular Formula C18H172DO
Exact Mass 251.142042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsciFWyysL9
Name 6-Benzylidene-1,3,5-trimethyltricyclo[3.2.1.0(2,7)](7-deuterio)oct-3-en-8-one
CAS Registry Number 132589-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17DO
InChI InChI=1S/C18H18O/c1-11-10-17(2)13(9-12-7-5-4-6-8-12)15-14(11)18(15,3)16(17)19/h4-10,14-15H,1-3H3/b13-9+/t14-,15-,17-,18+/m0/s1/i15D
InChIKey MYIVIKDGJPXSKI-NPBCULJNSA-N
Molecular Weight 251.347 g/mol
SMILES [C@]12([C@]3(\C(=C/c4ccccc4)[C@](C1=O)(C)C=C([C@]23[H])C)[2D])C
SPLASH splash10-00di-0390000000-12ec8393ea07c354a092
Source of Spectrum H-73-1568-0
Wiley ID 1254184