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2-Butenoic acid, octyl ester
SpectraBase Compound ID LjsU83uTVjx
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h4,10H,3,5-9,11H2,1-2H3/b10-4+
InChIKey HULBECQFWZPEBI-ONNFQVAWSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4bSbHCa9rY
Name 2-Butenoic acid, octyl ester
CAS Registry Number 22874-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h4,10H,3,5-9,11H2,1-2H3/b10-4+
InChIKey HULBECQFWZPEBI-ONNFQVAWSA-N
Literature Reference DOI 10.1039/c4ra15975f
Molecular Weight 198.306 g/mol
SMILES C\C=C\C(OCCCCCCCC)=O
SPLASH splash10-014u-9000000000-ed2753608222dec73abe
Source of Spectrum RSA-5-13118-3c
Synonyms Crotonic acid, octyl ester (E)-2-butenoic acid octyl ester Octyl (2E)-but-2-enoate (E)-but-2-enoic acid octyl ester Octyl (E)-but-2-enoate (E)-Octyl but-2-enoate Octyl 2-butenoate Octyl crotonate AI3-06057 EINECS 245-279-1 NSC 67892
Wiley ID 1760230