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(3R,3AS,5AS,9R,9AS,11AR)-3,5A,9,11A-TETRAMETHYL-2-METHYLENEDODECAHYDRO-4H-PENTALENO-[6A,1-C]-INDENE;WAIHOENSENE
SpectraBase Compound ID 3jxeCHC0k8a
InChI InChI=1S/C20H32/c1-14-13-18(5)10-11-19-15(2)7-6-8-17(19,4)9-12-20(18,19)16(14)3/h15-16H,1,6-13H2,2-5H3/t15-,16-,17+,18-,19+,20+/m1/s1
InChIKey FCMUPMSHXJZJBX-NADOGSGZSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47IdRGZsDDt
Name Totarene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C20H32/c1-14-13-18(5)10-11-19-15(2)7-6-8-17(19,4)9-12-20(18,19)16(14)3/h15-16H,1,6-13H2,2-5H3/t15-,16-,17+,18-,19+,20+/m1/s1
InChIKey FCMUPMSHXJZJBX-NADOGSGZSA-N
Molecular Weight 272.476 g/mol
SMILES [C@]12([C@]3([C@@](C(C2)=C)(C)[H])[C@]2(CC1)[C@](CC3)(CCC[C@]2(C)[H])C)C
SPLASH splash10-059x-7910000000-92d30f682070ab7848bc
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887102