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6-Hydroxydihydrotheaspirane, mixture of isomers
SpectraBase Compound ID 1iT5W5fWBvi
InChI InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3
InChIKey LJOISVFAMDWVFA-UHFFFAOYSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3nO1WYfLPM
Name Theaspirane <6-hydroxydihydro->
CAS Registry Number 53398-90-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3
InChIKey LJOISVFAMDWVFA-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
Number of Peaks 50
RI1 1447
RI2 1125
RI3 1321
RI4 1279
SMILES OC1(C2(CCC(O2)C)C(CCC1)(C)C)C
SPLASH splash10-002u-9300000000-a5b9fb5515e58873c0ef
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-
Wiley ID LM_FFNSC3_943