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[2R-(2.alpha.,3.beta.,3a.beta.,6.beta.,8a.beta.)]-octahydro-3,7,7-trimethyl-8-methylene-1H-3a,6-methanoazulen-2-ol methanesulfonate
SpectraBase Compound ID 947LVfh7RT6
InChI InChI=1S/C16H26O3S/c1-10-13-8-14(19-20(5,17)18)11(2)16(13)7-6-12(9-16)15(10,3)4/h11-14H,1,6-9H2,2-5H3/t11-,12+,13-,14+,16-/m0/s1
InChIKey BBWWDWPQAQQBRC-QKDZRIPBSA-N
Mol Weight 298.44 g/mol
Molecular Formula C16H26O3S
Exact Mass 298.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOWYwHZSyok
Name [2R-(2.alpha.,3.beta.,3a.beta.,6.beta.,8a.beta.)]-octahydro-3,7,7-trimethyl-8-methylene-1H-3a,6-methanoazulen-2-ol methanesulfonate
CAS Registry Number 91466-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O3S
InChI InChI=1S/C16H26O3S/c1-10-13-8-14(19-20(5,17)18)11(2)16(13)7-6-12(9-16)15(10,3)4/h11-14H,1,6-9H2,2-5H3/t11-,12+,13-,14+,16-/m0/s1
InChIKey BBWWDWPQAQQBRC-QKDZRIPBSA-N
Molecular Weight 298.441 g/mol
SMILES [C@@]123[C@](C(=C)C([C@](C3)([H])CC1)(C)C)(C[C@]([C@@]2(C)[H])(OS(=O)(=O)C)[H])[H]
SPLASH splash10-0563-4910000000-1d2c898bf0aba3aff301
Source of Spectrum J-49-3831-0
Synonyms (1R,2R,3R,5R,8R)-2,7,7-trimethyl-6-methylenetricyclo[6.2.1.0(1,5)]undec-3-yl methanesulfonate
Wiley ID 1300876