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1,3-Dimethylbutyl butyrate
SpectraBase Compound ID GjvmXKkewpA
InChI InChI=1S/C10H20O2/c1-5-6-10(11)12-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey YKIZNXWSYATKON-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 CUqZ1X6eXFn
Name 1,3-Dimethylbutyl butyrate
Alternate Name(s) Butanoic acid 4-methylpentan-2-yl ester 1,3-Dimethylbutyl butanoate 4-Methylpentan-2-yl butanoate
CAS Registry Number 5332-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-5-6-10(11)12-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey YKIZNXWSYATKON-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCC(OC(CC(C)C)C)=O
SPLASH splash10-00xu-9000000000-5511eb689aa9a22ec2e0
Source of Spectrum NP-2-5907-0
Wiley ID 1101359