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Melophlin M
SpectraBase Compound ID 6qY1DXLWrH8
InChI InChI=1S/C18H31NO3/c1-4-5-6-7-8-9-10-11-12-13-15(20)16-17(21)14(2)19(3)18(16)22/h14,20H,4-13H2,1-3H3/b16-15-
InChIKey CELZEZYUAVUZRU-NXVVXOECSA-N
Mol Weight 309.45 g/mol
Molecular Formula C18H31NO3
Exact Mass 309.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWswzRsiUnz
Name Melophlin M
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO3
InChI InChI=1S/C18H31NO3/c1-4-5-6-7-8-9-10-11-12-13-15(20)16-17(21)14(2)19(3)18(16)22/h14,20H,4-13H2,1-3H3/b16-15-
InChIKey CELZEZYUAVUZRU-NXVVXOECSA-N
Instrument Name Finnigan MAT 311A
Ionization Type EI
Literature Reference DOI 10.1021/np0202778
Molecular Weight 309.450 g/mol
Optical Rotation [a]D20 = -5.0 (c = 0.38, MeOH)
Reported Formula C18H31NO3
SMILES O\C(=C/1C(N(C(C1=O)C)C)=O)CCCCCCCCCCC
SPLASH splash10-0gb9-0900000000-a2dee4aa16a51d645bb9
Source of Spectrum G4-66-55-11
Wiley ID 1881164