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Benzyl heptanoate

View entire compound with spectra: 6 MS (GC)

Benzyl heptanoate
SpectraBase Compound ID 4cEuxSSMgqY
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey UEDDAJQIHUEZCJ-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yQin2D09Z0
Name Benzyl heptanoate
Alternate Name(s) (phenylmethyl) heptanoate Benzyl n-heptanoate enanthic acid benzyl ester Heptanoic acid (phenylmethyl) ester AI3-30742 EINECS 226-705-5
CAS Registry Number 5454-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey UEDDAJQIHUEZCJ-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(=O)(OCc1ccccc1)CCCCCC
SPLASH splash10-0006-9200000000-43cc0257c1eb397b758e
Wiley ID 1494441