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(CIS)-PIPERITYL-ACETATE
SpectraBase Compound ID 43m21qzwHVb
InChI InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3/t11-,12-/m1/s1
InChIKey NADGBBLSBLDJEH-VXGBXAGGSA-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 9EW46fRsJyv
Name Piperitol acetate
CAS Registry Number 78774-33-1
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 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3/t11-,12-/m1/s1
InChIKey NADGBBLSBLDJEH-VXGBXAGGSA-N
Molecular Weight 196.290 g/mol
Number of Peaks 50
RI1 1335
SMILES C1C(=C[C@]([C@](C1)(C(C)C)[H])(OC(C)=O)[H])C
SPLASH splash10-0006-9200000000-d8af743ae9665d8e2b91
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 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 1-acetate
Wiley ID LM_FFNSC3_2147