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(E)-2-isopropylbut-2-enedioic acid
SpectraBase Compound ID E8pTS7QXRy5
InChI InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3+
InChIKey NJMGRJLQRLFQQX-HWKANZROSA-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 FQwYhizpNVr
Name (E)-2-isopropylbut-2-enedioic acid
CAS Registry Number 7596-39-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O4
InChI InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3-4H,1-2H3,(H,8,9)(H,10,11)/b5-3+
InChIKey NJMGRJLQRLFQQX-HWKANZROSA-N
Molecular Weight 158.153 g/mol
SMILES OC(\C=C\(C(=O)O)C(C)C)=O
SPLASH splash10-03di-0900000000-799aaddffe4c912c1aae
Source of Spectrum F-43-5904-0
Synonyms (E)-2-propan-2-yl-2-butenedioic acid (E)-2-propan-2-ylbut-2-enedioic acid
Wiley ID 1155020