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Isocedranol
SpectraBase Compound ID 6CafoqGX3jc
InChI InChI=1S/C15H26O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-13,16H,5-8H2,1-4H3/t9-,10+,11?,12+,13+,15-/m1/s1
InChIKey AEJKOZRRMKOBQS-OWFZOWEASA-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 4VLtfdjBXIF
Name Isocedranol
CAS Registry Number 13567-45-8
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 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-13,16H,5-8H2,1-4H3/t9-,10+,11?,12+,13+,15-/m1/s1
InChIKey AEJKOZRRMKOBQS-OWFZOWEASA-N
Molecular Weight 222.372 g/mol
Number of Peaks 50
RI1 1675
SMILES O[C@@]1([C@](C)([H])C2C[C@@]3([C@](C2(C)C)(CC[C@]3(C)[H])[H])C1)[H]
SPLASH splash10-052f-9810000000-8663cb82c07189c6831e
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 1H-3a,7-methanoazulen-5-ol, octahydro-3,6,8,8-tetramethyl-
Wiley ID LM_FFNSC3_2222