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PENTANEDIOIC-ACID-2-(1-METHYLETHYLIDENE)-1-METHYLESTER
SpectraBase Compound ID 75bjpCodv4a
InChI InChI=1S/C9H14O4/c1-6(2)7(9(12)13-3)4-5-8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey AJDHMUGYYXWKAC-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJTA7GE88ad
Name 4-methoxycarbonyl-5-methyl-hex-4-enoic acid
Appearance Brownish viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
GC Oven Program Oven temp 250oC, splitless injector
InChI InChI=1S/C9H14O4/c1-6(2)7(9(12)13-3)4-5-8(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey AJDHMUGYYXWKAC-UHFFFAOYSA-N
Instrument Name Perkin-Elmer (Auto system XL)GC-Turbomass
Ionization Type EI
Literature Reference DOI 10.1021/np020128p
Molecular Weight 186.207 g/mol
SMILES OC(CCC(=C(C)C)C(OC)=O)=O
SPLASH splash10-014i-9200000000-29db645ea5af2f1e7ec3
Source of Spectrum G4-65-1610-7
Wiley ID 1883458