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(2E)-2-Pentenyl heptanoate

View entire compound with spectra: 2 MS (GC)

(2E)-2-Pentenyl heptanoate
SpectraBase Compound ID YylHdg93uK
InChI InChI=1S/C12H22O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6+
InChIKey YOYYNSFGYONYRZ-RMKNXTFCSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mArOkupO4
Name (2E)-2-Pentenyl heptanoate
Alternate Name(s) Heptanoic acid, 2-penten-1-yl ester Heptanoic acid [(E)-pent-2-enyl] ester [(E)-pent-2-enyl] heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-7-8-10-12(13)14-11-9-6-4-2/h6,9H,3-5,7-8,10-11H2,1-2H3/b9-6+
InChIKey YOYYNSFGYONYRZ-RMKNXTFCSA-N
Molecular Weight 198.306 g/mol
SMILES C(=O)(CCCCCC)OC\C=C\CC
SPLASH splash10-0006-9100000000-fc528db706c798e3f25d
Wiley ID 1494712