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Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, [1S-(1.alpha.,4a.beta.,10a.beta.)]-
SpectraBase Compound ID 2CrAAL3ju3X
InChI InChI=1S/C16H22/c1-12-6-5-11-16(2)14(12)10-9-13-7-3-4-8-15(13)16/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t12-,14-,16+/m1/s1
InChIKey WAWBDLCUJLIJKY-XPKDYRNWSA-N
Mol Weight 214.35 g/mol
Molecular Formula C16H22
Exact Mass 214.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxJXG2cGyCB
Name Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, [1S-(1.alpha.,4a.beta.,10a.beta.)]-
CAS Registry Number 69634-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22
InChI InChI=1S/C16H22/c1-12-6-5-11-16(2)14(12)10-9-13-7-3-4-8-15(13)16/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t12-,14-,16+/m1/s1
InChIKey WAWBDLCUJLIJKY-XPKDYRNWSA-N
Molecular Weight 214.352 g/mol
SMILES [C@]12([C@](CCc3c2cccc3)([C@](C)(CCC1)[H])[H])C
SPLASH splash10-016v-0910000000-822f38a2e42dd7fdac4f
Source of Spectrum H-61-2850-0
Synonyms (1R,4aS,10aR)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene 1,4a.alpha.-dimethyl-1,2,3,4,4a,9,10,10a.alpha.-octahydrophenanthrene (c(4) stereoisomer b)
Wiley ID 1214234