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Isoatisirene
SpectraBase Compound ID ItLV9tGLBR8
InChI InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h13,15-17H,5-12H2,1-4H3/t15-,16+,17+,19+,20+/m0/s1
InChIKey IHPFOQKQHPUQBG-AZNNDXHDSA-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 6ovOSTWPzsa
Name Isoatisirene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
InChI InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h13,15-17H,5-12H2,1-4H3/t15-,16+,17+,19+,20+/m0/s1
InChIKey IHPFOQKQHPUQBG-AZNNDXHDSA-N
Molecular Weight 272.476 g/mol
SMILES [C@]12([C@@]3([C@@]4(C=C([C@](C3)(CC4)[H])C)CC[C@@]2(C(CCC1)(C)C)[H])[H])C
SPLASH splash10-053u-9620000000-2e3de3a0680abc62cc11
Source of Spectrum JX-2015-6-5303
Synonyms (3S,4aR,4bR,8aR,10aR)-2,4b,8,8-tetramethyl-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-3,10a-ethanophenanthrene
Wiley ID 1729081