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2-Butenoic acid, 2-methyl-, 2-propenyl ester, (E)-
SpectraBase Compound ID Hi5YsBgNlPY
InChI InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
InChIKey ODOZNBUSHKFCSH-FNORWQNLSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYh6ashvXu
Name Allyl tiglate
CAS Registry Number 7493-71-2
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 140.083729624 u
Formula C8H12O2
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/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
InChIKey ODOZNBUSHKFCSH-FNORWQNLSA-N
Molecular Weight 140.182 g/mol
Nominal Mass 140 u
Number of Peaks 78
SMILES C(\C(=C\C)C)(OCC=C)=O
SPLASH splash10-0a59-9000000000-dd51099a9c181923632f
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001433