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2-Pentenoic acid, 3,4,4-trimethyl-, ethyl ester
SpectraBase Compound ID 49l8oHgF6WP
InChI InChI=1S/C10H18O2/c1-6-12-9(11)7-8(2)10(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKey CBUBTSAGSSBGGF-BQYQJAHWSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lHdqB0aINn
Name (E)-3,4,4-trimethyl-2-pentenoic acid ethyl ester
CAS Registry Number 16812-82-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-6-12-9(11)7-8(2)10(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKey CBUBTSAGSSBGGF-BQYQJAHWSA-N
Molecular Weight 170.252 g/mol
SMILES C(\C=C\(C(C)(C)C)C)(=O)OCC
SPLASH splash10-0a6r-9700000000-b17e605a205a0480700f
Source of Spectrum AJ-47-2529-0
Synonyms 2-Pentenoic acid, 3,4,4-trimethyl-, ethyl ester (E)-3,4,4-trimethylpent-2-enoic acid ethyl ester Ethyl (2E)-3,4,4-trimethyl-2-pentenoate Ethyl (E)-3,4,4-trimethylpent-2-enoate
Wiley ID 849956