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DICHOTOMINE_XI
SpectraBase Compound ID GeqlYJm0TD3
InChI InChI=1S/C19H19N3O5/c1-10(23)17-18-12(11-6-4-5-7-13(11)20-18)8-14(21-17)19(26)22(2)15(24)9-16(25)27-3/h4-8,15,20,24H,9H2,1-3H3
InChIKey RBWSIWUGQOJFGB-UHFFFAOYSA-N
Mol Weight 369.38 g/mol
Molecular Formula C19H19N3O5
Exact Mass 369.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCWeibXL2At
Name Dichotomide XI
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O5
InChI InChI=1S/C19H19N3O5/c1-10(23)17-18-12(11-6-4-5-7-13(11)20-18)8-14(21-17)19(26)22(2)15(24)9-16(25)27-3/h4-8,15,20,24H,9H2,1-3H3
InChIKey RBWSIWUGQOJFGB-UHFFFAOYSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np1003627
Molecular Weight 369.377 g/mol
Optical Rotation [a]D25 = -36.9 (c = 0.01, MeOH)
Reported Formula C19H19N3O5
SMILES [nH]1c2c(cc(C(N(C(CC(=O)OC)O)C)=O)nc2C(=O)C)c2ccccc12
SPLASH splash10-053i-0592000000-bda311c987a843846f55
Source of Spectrum G4-73-1998-9
Wiley ID 1848911