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(E)-2-butyl-2-butenedioic acid
SpectraBase Compound ID E5kcxny4wt4
InChI InChI=1S/C8H12O4/c1-2-3-4-6(8(11)12)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)/b6-5+
InChIKey JWPVCFSBPUPIQA-AATRIKPKSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEE2mJbBVTc
Name (E)-2-butyl-2-butenedioic acid
CAS Registry Number 5469-36-3
Comments Less than 3 mono-isotopic peaks
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Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-2-3-4-6(8(11)12)5-7(9)10/h5H,2-4H2,1H3,(H,9,10)(H,11,12)/b6-5+
InChIKey JWPVCFSBPUPIQA-AATRIKPKSA-N
Molecular Weight 172.180 g/mol
SMILES OC(\C(=C\C(=O)O)CCCC)=O
SPLASH splash10-0fb9-0900000000-772841d68e2e832597fe
Source of Spectrum F-43-5904-0
Synonyms (E)-2-butylbut-2-enedioic acid
Wiley ID 1168473