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[2R-(2.alpha.,3.beta.,3a.beta.,6.beta.,8a.beta.)]-octahydro-3,7,7-trimethyl-8-methylene-2-(phenylseleno)-1H-3a,6-methanoazulene
SpectraBase Compound ID BKnA1k1a7SR
InChI InChI=1S/C21H28Se/c1-14-18-12-19(22-17-8-6-5-7-9-17)15(2)21(18)11-10-16(13-21)20(14,3)4/h5-9,15-16,18-19H,1,10-13H2,2-4H3/t15-,16-,18+,19+,21-/m0/s1
InChIKey ORBKVHVTIFXJMD-LUCFSVCOSA-N
Mol Weight 359.43 g/mol
Molecular Formula C21H28Se
Exact Mass 360.135623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9t295oAQYoZ
Name [2R-(2.alpha.,3.beta.,3a.beta.,6.beta.,8a.beta.)]-octahydro-3,7,7-trimethyl-8-methylene-2-(phenylseleno)-1H-3a,6-methanoazulene
Alternate Name(s) (1R,2R,3R,5S,8S)-2,7,7-trimethyl-6-methylene-3-(phenylselanyl)tricyclo[6.2.1.0(1,5)]undecane phenyl (1R,2R,3R,5S,8S)-2,7,7-trimethyl-6-methylenetricyclo[6.2.1.0(1,5)]undec-3-yl selenide
CAS Registry Number 91548-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28Se
InChI InChI=1S/C21H28Se/c1-14-18-12-19(22-17-8-6-5-7-9-17)15(2)21(18)11-10-16(13-21)20(14,3)4/h5-9,15-16,18-19H,1,10-13H2,2-4H3/t15-,16-,18+,19+,21-/m0/s1
InChIKey ORBKVHVTIFXJMD-LUCFSVCOSA-N
Molecular Weight 359.427 g/mol
SMILES [C@@]123[C@@](C(=C)C([C@@](C3)([H])CC1)(C)C)(C[C@]([C@@]2(C)[H])([Se]c1ccccc1)[H])[H]
SPLASH splash10-003u-8950000000-9d6362d9d7a6ea289dca
Source of Spectrum J-49-3832-0
Wiley ID 1348474