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JASPINE-B
SpectraBase Compound ID EQEh6vOo4Fj
InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17-,18-/m0/s1
InChIKey FBQCDJRSCUVUFL-BZSNNMDCSA-N
Mol Weight 299.5 g/mol
Molecular Formula C18H37NO2
Exact Mass 299.282429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftacq3rawpt
Name Pachastrissamine
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H37NO2
InChI InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3/t16-,17-,18-/m0/s1
InChIKey FBQCDJRSCUVUFL-BZSNNMDCSA-N
Instrument Name Hitachi M-2500
Ionization Type EI
Literature Reference DOI 10.1021/np010659y
Molecular Weight 299.499 g/mol
Optical Rotation [a]D = +18 (c = 0.1, EtOH)
Reported Formula C18H37NO2
SMILES N[C@]1(CO[C@]([C@]1(O)[H])(CCCCCCCCCCCCCC)[H])[H]
SPLASH splash10-03di-9000000000-dcbde4741417dc41a8fa
Source of Spectrum G4-65-1506-3
Wiley ID 1883355