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Ethyl nerolate
SpectraBase Compound ID 151Yx5vGPop
InChI InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9-
InChIKey ZPKNTCZTABQJPS-LUAWRHEFSA-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 DalAL8dxmpz
Name Nerate
CAS Registry Number 32659-20-4
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/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9-
InChIKey ZPKNTCZTABQJPS-LUAWRHEFSA-N
Molecular Weight 196.290 g/mol
Number of Peaks 50
RI1 1348
RI2 1026
SMILES C(\C=C\(C)CCC=C(C)C)(OCC)=O
SPLASH splash10-014l-9500000000-51c962b95a278593e527
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 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (2Z)-
Wiley ID LM_FFNSC3_1426