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3-pyridylmethyl cis-oct-4-enoate
SpectraBase Compound ID GbNveQoquxF
InChI InChI=1S/C14H19NO2/c1-2-3-4-5-6-9-14(16)17-12-13-8-7-10-15-11-13/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3/b5-4-
InChIKey ACSQWECVCKPCCH-PLNGDYQASA-N
Mol Weight 233.31 g/mol
Molecular Formula C14H19NO2
Exact Mass 233.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyIyBRGHx7d
Name 3-pyridylmethyl cis-oct-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO2
InChI InChI=1S/C14H19NO2/c1-2-3-4-5-6-9-14(16)17-12-13-8-7-10-15-11-13/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3/b5-4-
InChIKey ACSQWECVCKPCCH-PLNGDYQASA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2006.07.004
Molecular Weight 233.311 g/mol
SMILES C(C(OCc1cnccc1)=O)C\C=C/CCC
SPLASH splash10-0006-9420000000-cc7cfded1fb62f337cbd
Source of Spectrum A7-17-1627-Fig 7b
Wiley ID 1857479