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Butanoate <3-methyl-2-butenyl 3-methyl->
SpectraBase Compound ID 5PiVklEPFpY
InChI InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,9H,6-7H2,1-4H3
InChIKey SXWCTQGESRWYMK-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 DzXCqz7U6ex
Name 3-Methyl-2-butenyl 3-methylbutanoate
CAS Registry Number 89026-29-9
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/h5,9H,6-7H2,1-4H3
InChIKey SXWCTQGESRWYMK-UHFFFAOYSA-N
Molecular Weight 170.252 g/mol
SMILES C(CC(OCC=C(C)C)=O)(C)C
SPLASH splash10-014l-9000000000-21236233465faf4e151f
Source ex VASU DEV
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Butanoate<3-methyl-2-butenyl 3-methyl->
Wiley ID 1885963