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3-pyridylmethyl trans-dodec-2-enoate
SpectraBase Compound ID GdZmYp3gZLd
InChI InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h10-15H,2-9,16H2,1H3/b13-10+
InChIKey ZAQOMJRUOFQZTA-JLHYYAGUSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKjcgn4Lgul
Name 3-pyridylmethyl trans-dodec-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h10-15H,2-9,16H2,1H3/b13-10+
InChIKey ZAQOMJRUOFQZTA-JLHYYAGUSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2006.07.004
Molecular Weight 289.419 g/mol
SMILES C(\C=C\CCCCCCCCC)(OCc1cnccc1)=O
SPLASH splash10-0006-6920000000-8034275865b6c827b907
Source of Spectrum A7-17-1627-Fig 7a
Wiley ID 1857478