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(3R,3aR,4S)-3-ethoxy-3a,8-dimethyl-2,3,4,5-tetrahydro-1H-azulen-4-ol
SpectraBase Compound ID HtsIKMYP85F
InChI InChI=1S/C14H22O2/c1-4-16-13-9-8-11-10(2)6-5-7-12(15)14(11,13)3/h5-6,12-13,15H,4,7-9H2,1-3H3/t12-,13+,14+/m0/s1
InChIKey MXEPUKLSYLHCOK-BFHYXJOUSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWn2VEXdC3A
Name (3R,3aR,4S)-3-ethoxy-3a,8-dimethyl-2,3,4,5-tetrahydro-1H-azulen-4-ol
CAS Registry Number 124780-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-4-16-13-9-8-11-10(2)6-5-7-12(15)14(11,13)3/h5-6,12-13,15H,4,7-9H2,1-3H3/t12-,13+,14+/m0/s1
InChIKey MXEPUKLSYLHCOK-BFHYXJOUSA-N
Molecular Weight 222.328 g/mol
SMILES O[C@@]1([C@]2(C(=C(C=CC1)C)CC[C@]2(OCC)[H])C)[H]
SPLASH splash10-05bb-1930000000-b8c0d068ddefc63e69c3
Source of Spectrum J-55-1575-14
Wiley ID 1222940