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2,6-heptadienoic acid, 5-hydroxy-, ethyl ester(E)
SpectraBase Compound ID 5eT81EQZl4S
InChI InChI=1S/C9H14O3/c1-3-8(10)6-5-7-9(11)12-4-2/h3,5,7-8,10H,1,4,6H2,2H3/b7-5+
InChIKey COGOLBMYAZRWAP-FNORWQNLSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NOTZEvVpIZ
Name 2,6-heptadienoic acid, 5-hydroxy-, ethyl ester(E)
Alternate Name(s) Ethyl (2E)-5-hydroxy-2,6-heptadienoate
CAS Registry Number 98269-47-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-3-8(10)6-5-7-9(11)12-4-2/h3,5,7-8,10H,1,4,6H2,2H3/b7-5+
InChIKey COGOLBMYAZRWAP-FNORWQNLSA-N
Molecular Weight 170.208 g/mol
SMILES OC(C=C)C\C=C\C(=O)OCC
SPLASH splash10-0gdi-9500000000-58ea41698aede951a73e
Source of Spectrum J-50-4305-3
Wiley ID 1166606