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PROPIONIC ACID, HEPTYL ESTER
SpectraBase Compound ID MGVSlVxXOG
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3
InChIKey BGYICJVBGZQOCY-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NFtw9hNWlC
Name Propanoic acid, heptyl ester
CAS Registry Number 2216-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3
InChIKey BGYICJVBGZQOCY-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(COC(CC)=O)CCCCC
SPLASH splash10-0a6r-9000000000-eb0aece0983ceebdb249
Source of Spectrum AA-0-1155-1
Synonyms Propionic acid, heptyl ester Heptyl propanoate Heptyl propionate n-Heptyl propionate Propanoic acid heptyl ester AI3-21504 EINECS 218-698-2 ENT 21504
Wiley ID 1169057