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2-((1S,3aS,7aS,E)-1,6,6-trimethyloctahydro-4H-inden-4-ylidene)propan-1-ol
SpectraBase Compound ID JimbHIdTtrW
InChI InChI=1S/C15H26O/c1-10-5-6-12-13(10)7-15(3,4)8-14(12)11(2)9-16/h10,12-13,16H,5-9H2,1-4H3/b14-11+/t10-,12-,13-/m0/s1
InChIKey DJBXKQSFHIRXRM-JRYBIPSHSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN6uskwaOjw
Name 2-((1S,3aS,7aS,E)-1,6,6-trimethyloctahydro-4H-inden-4-ylidene)propan-1-ol
Appearance Colourless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
GC Oven Program Oven temp 320oC
InChI InChI=1S/C15H26O/c1-10-5-6-12-13(10)7-15(3,4)8-14(12)11(2)9-16/h10,12-13,16H,5-9H2,1-4H3/b14-11+/t10-,12-,13-/m0/s1
InChIKey DJBXKQSFHIRXRM-JRYBIPSHSA-N
Instrument Name Agilent 7890B-5977A/GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/anie.201907964
Molecular Weight 222.372 g/mol
Optical Rotation [a]D20 = +6.5 (c 1.05, C6D6)
SMILES OC\C(=C/1CC(C[C@@]2([C@@]1(CC[C@@]2(C)[H])[H])[H])(C)C)C
SPLASH splash10-0a4i-9800000000-dbe0f38af31fb8ddabc0
Source of Spectrum ACI-58-SM13-6
Synonyms Trichobrasilenol
Thin-Layer Chromatography Rf = 0.3 (pentane:Et2O, 5:1)
Wiley ID 1875581