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Hexanoic acid, 2-ethyl-, heptyl ester
SpectraBase Compound ID 9j5zflp77EH
InChI InChI=1S/C15H30O2/c1-4-7-9-10-11-13-17-15(16)14(6-3)12-8-5-2/h14H,4-13H2,1-3H3
InChIKey ZEYQXRVECWKGOQ-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25qnG9ic3ZF
Name Hexanoic acid, 2-ethyl-, heptyl ester
CAS Registry Number 112445-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-4-7-9-10-11-13-17-15(16)14(6-3)12-8-5-2/h14H,4-13H2,1-3H3
InChIKey ZEYQXRVECWKGOQ-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
SMILES C(CCCCC)COC(C(CCCC)CC)=O
SPLASH splash10-0002-8900000000-45d394dcc9f8f5fae985
Source of Spectrum O-22-474-2
Synonyms Heptyl 2-ethylhexanoate 2-Ethylhexanoic acid heptyl ester
Wiley ID 1245472