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Tricyclo[5.4.0.03,9]undecan-2-one, 1,3,6-trimethyl-, stereoisomer
SpectraBase Compound ID Ksh2E0OHsC1
InChI InChI=1S/C15H24/c1-10-7-8-14(3)12-6-5-11(2)15(14,4)13(10)9-12/h5,10,12-13H,6-9H2,1-4H3/t10?,12-,13+,14+,15+/m1/s1/i4D3
InChIKey VUDFXLCQHKWHLJ-ODFKAOGLSA-N
Mol Weight 207.38 g/mol
Molecular Formula C15H212D3
Exact Mass 207.206631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoaPGKaH8Za
Name Tricyclo[5.4.0.03,9]undecan-2-one, 1,3,6-trimethyl-, stereoisomer
CAS Registry Number 53798-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21D3
InChI InChI=1S/C15H24/c1-10-7-8-14(3)12-6-5-11(2)15(14,4)13(10)9-12/h5,10,12-13H,6-9H2,1-4H3/t10?,12-,13+,14+,15+/m1/s1/i4D3
InChIKey VUDFXLCQHKWHLJ-ODFKAOGLSA-N
Molecular Weight 207.375 g/mol
SMILES [C@@]12([C@@]3([C@@](C[C@]2(C(CC3)C)[H])(CC=C1C)[H])C)C([2D])([2D])[2D]
SPLASH splash10-05fu-0930000000-037809e23d5f3c426e10
Source of Spectrum H-62-1900-0
Synonyms 4,6,8a-trimethyl-4a-trideuteriomethyl-1,5-methano-1,2,4a,5,6,7,8,8a-octahydronaphthalene Tricyclo[5.4.0.0(3,9)]undecan-2-one, 1,3,6-trimethyl-, stereoisomer, trideutero-
Wiley ID 1203085