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13-Valeroyloxylupanine
SpectraBase Compound ID ASNuzwmRgzc
InChI InChI=1S/C20H32N2O3/c1-2-3-7-20(24)25-16-8-9-21-12-14-10-15(18(21)11-16)13-22-17(14)5-4-6-19(22)23/h14-18H,2-13H2,1H3/t14-,15-,16?,17+,18-/m0/s1
InChIKey ONRAIYBLYJSDFH-IBZMCCGJSA-N
Mol Weight 348.5 g/mol
Molecular Formula C20H32N2O3
Exact Mass 348.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqU6vcvHnzM
Name 13-Valeroyloxylupanine
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 348.241292895 u
Formula C20H32N2O3
InChI InChI=1S/C20H32N2O3/c1-2-3-7-20(24)25-16-8-9-21-12-14-10-15(18(21)11-16)13-22-17(14)5-4-6-19(22)23/h14-18H,2-13H2,1H3/t14-,15-,16?,17+,18-/m0/s1
InChIKey ONRAIYBLYJSDFH-IBZMCCGJSA-N
Instrument Name Magnet AutoSpec
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jsfa.2740610406
Molecular Weight 348.487 g/mol
Number of Peaks 1
SMILES C1N2[C@](CC(C1)OC(=O)CCCC)([H])[C@@]1([H])C[C@@](C2)([C@@]2([H])CCCC(N2C1)=O)[H]
SPLASH splash10-0002-0090000000-e3bd7f87faa207504800
Source of Spectrum SFA-61-415-13-Valeroyloxylupanine (DOI: 10.1002/jsfa.2740610406)
Wiley ID 1856709