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Butanoic acid, 3-methyl-, 3-methyl-3-butenyl ester
SpectraBase Compound ID 1HEsBwRuBUT
InChI InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey TYOOXFQTUDXXCL-UHFFFAOYSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv4REm0IAW
Name 3-Methyl-3-butenyl 3-methylbutanoate
CAS Registry Number 54410-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
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/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey TYOOXFQTUDXXCL-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES C(OCCC(C)=C)(CC(C)C)=O
SPLASH splash10-014l-9000000000-cc53a39d3a31491e34e1
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Methyl butanoate, 3-methyl-3-butenyl<3->
Wiley ID 1887630