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2,4-Hexadienedioic acid, monobutyl ester, (E,E)-
SpectraBase Compound ID GTPW6ohzp70
InChI InChI=1S/C10H14O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h4-7H,2-3,8H2,1H3,(H,11,12)/b6-4+,7-5-
InChIKey LPARONCWTGERSI-GUBXDBFYSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87nVTYjRkpy
Name 2,4-Hexadienedioic acid, monobutyl ester, (E,E)-
Alternate Name(s) (2E,4Z)-6-butoxy-6-keto-hexa-2,4-dienoic acid (2E,4Z)-6-butoxy-6-oxidanylidene-hexa-2,4-dienoic acid (2E,4Z)-6-butoxy-6-oxo-hexa-2,4-dienoic acid
CAS Registry Number 87729-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h4-7H,2-3,8H2,1H3,(H,11,12)/b6-4+,7-5-
InChIKey LPARONCWTGERSI-GUBXDBFYSA-N
Molecular Weight 198.218 g/mol
SMILES OC(\C=C\C=C/C(=O)OCCCC)=O
SPLASH splash10-0a4j-9200000000-70f32d44dc760343e24a
Source of Spectrum J-49-465-0
Wiley ID 1195153