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(E)-2-propyl-2-butenedioic acid
SpectraBase Compound ID Ihns28tK3kY
InChI InChI=1S/C7H10O4/c1-2-3-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/b5-4+
InChIKey CCKSYUMJLIMSQK-SNAWJCMRSA-N
Mol Weight 158.15 g/mol
Molecular Formula C7H10O4
Exact Mass 158.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGxLvwcGVX5
Name (E)-2-propyl-2-butenedioic acid
CAS Registry Number 5469-28-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O4
InChI InChI=1S/C7H10O4/c1-2-3-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/b5-4+
InChIKey CCKSYUMJLIMSQK-SNAWJCMRSA-N
Molecular Weight 158.153 g/mol
SMILES OC(\C(=C\C(=O)O)CCC)=O
SPLASH splash10-03di-0900000000-f31983d6f81259c78909
Source of Spectrum F-43-5904-0
Synonyms (E)-2-propylbut-2-enedioic acid
Wiley ID 1155019