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Verbanol acetate <neoiso->
SpectraBase Compound ID EfHhZytWqnp
InChI InChI=1S/C12H20O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h7,9-11H,5-6H2,1-4H3/t7-,9+,10-,11+/m0/s1
InChIKey SJTUFGGNSOBUCB-CDEVMZEPSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqKl2MuArMG
Name Verbanol acetate
CAS Registry Number 73366-12-8
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 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h7,9-11H,5-6H2,1-4H3/t7-,9+,10-,11+/m0/s1
InChIKey SJTUFGGNSOBUCB-CDEVMZEPSA-N
Molecular Weight 196.290 g/mol
Number of Peaks 50
RI1 1332
SMILES [C@]12(C[C@](C2(C)C)([C@](OC(=O)C)(C[C@@]1(C)[H])[H])[H])[H]
SPLASH splash10-0006-9100000000-12f163a159030f334861
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 Bicyclo[3.1.1]heptan-2-ol, 4,6,6-trimethyl-, 2-acetate, (1R,2R,4S,5R)-rel-
Wiley ID LM_FFNSC3_2972