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Methyl (Z)-N-hexadec-9-enoylvalinate
SpectraBase Compound ID CmEvcgnVK2x
InChI InChI=1S/C22H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-21(19(2)3)22(25)26-4/h10-11,19,21H,5-9,12-18H2,1-4H3,(H,23,24)/b11-10-/t21-/m0/s1
InChIKey PWRDPNAWRNTGJU-XPTLAUCJSA-N
Mol Weight 367.6 g/mol
Molecular Formula C22H41NO3
Exact Mass 367.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZpoOgUlJOv
Name Methyl (Z)-N-hexadec-9-enoylvalinate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41NO3
InChI InChI=1S/C22H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-21(19(2)3)22(25)26-4/h10-11,19,21H,5-9,12-18H2,1-4H3,(H,23,24)/b11-10-/t21-/m0/s1
InChIKey PWRDPNAWRNTGJU-XPTLAUCJSA-N
Instrument Name HP6890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.276
Molecular Weight 367.574 g/mol
Reported Formula C22H41NO3
SMILES N([C@@](C(C)C)(C(OC)=O)[H])C(CCCCCCC\C=C/CCCCCC)=O
SPLASH splash10-00e9-9510000000-d209bed503a47464a9e8
Source of Spectrum BJO-14-2968-N, 9, C16:1-NAVME
Thin-Layer Chromatography Rf = 0.31 (Pentane/diethyl ether, (1:1)
Wiley ID 1845764