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Gymnomitrol
SpectraBase Compound ID H2il595Nm5n
InChI InChI=1S/C15H24O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1
InChIKey JKHYQMRSAYOHOA-LXFSFDBISA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z2TTfugEI0
Name Gymnomitrol
CAS Registry Number 41410-53-1
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 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1
InChIKey JKHYQMRSAYOHOA-LXFSFDBISA-N
Molecular Weight 220.356 g/mol
Number of Peaks 50
RI1 1660
SMILES O[C@]1([C@]2([C@]3([C@@]([C@@]1(CCC2=C)C)(CCC3)C)C)[H])[H]
SPLASH splash10-0a4l-9600000000-d3fa8d2a2b98a8568513
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 4,8-Methanoazulen-9-ol, decahydro-3a,4,8a-trimethyl-7-methylene-
Wiley ID LM_FFNSC3_2887