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3-HEPTANOL, ACETATE
SpectraBase Compound ID ByLngxOCECc
InChI InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
InChIKey QICIMADZMWGDTQ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZjl6PXkjKC
Name 1-Ethylpentyl acetate
CAS Registry Number 5921-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3
InChIKey QICIMADZMWGDTQ-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCCC(OC(C)=O)CC
SPLASH splash10-0a4l-9000000000-2c34c99cf9c51754c5d9
Source of Spectrum NP-1-8702-0
Synonyms Acetic acid heptan-3-yl ester Heptan-3-yl acetate Heptan-3-yl ethanoate
Wiley ID 1099814