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1-Methylbutyl butyrate
SpectraBase Compound ID 76JBZyiJnsi
InChI InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
InChIKey DJOCFLQKCMWABC-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 L092pivq2Rr
Name 1-Methylbutyl butyrate
CAS Registry Number 60415-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
InChIKey DJOCFLQKCMWABC-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(=O)(OC(CCC)C)CCC
SPLASH splash10-00dl-9000000000-a10f57e33df99de8b540
Source of Spectrum PR-489-0-0
Synonyms 1-Methylbutyl butanoate Butanoic acid pentan-2-yl ester Butanoic acid, 1-methylbutyl ester Butanoic acid, 2-pentyl ester Butyric acid 1-methylbutyl ester Butyric acid, sec-pentyl ester Pentan-2-yl butanoate sec-Amyl butyrate
Wiley ID 1155581