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2-Butenoic acid, 2-methyl-, butyl ester, (E)-
SpectraBase Compound ID 1PiCcyO4mAV
InChI InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKey RBGFLIOXJWFKKX-VMPITWQZSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L5gNCYQNs
Name Butyl tiglate
CAS Registry Number 7785-66-2
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKey RBGFLIOXJWFKKX-VMPITWQZSA-N
Molecular Weight 156.225 g/mol
Nominal Mass 156 u
Number of Peaks 80
SMILES C(=O)(\C(=C\C)C)OCCCC
SPLASH splash10-0pc0-9300000000-62a37ab5fd954cf10e7a
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001470