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Butyl levulinate
SpectraBase Compound ID G6sEjvfSU9N
InChI InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChIKey ISBWNEKJSSLXOD-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGPviD8ULpx
Name Butyl levulinate
CAS Registry Number 2052-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChIKey ISBWNEKJSSLXOD-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES CC(CCC(OCCCC)=O)=O
SPLASH splash10-0007-9100000000-236e5c64c2e494647db7
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887227