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Roecarboline

View entire compound with spectra: 1 MS (GC)

Roecarboline
SpectraBase Compound ID jwDTiDnmtW
InChI InChI=1S/C21H24N2O3/c1-23-9-8-15-16-11-19(25-2)20(26-3)12-17(16)22-21(15)18(23)10-13-4-6-14(24)7-5-13/h4-7,11-12,18,22,24H,8-10H2,1-3H3/t18-/m1/s1
InChIKey YQWJJRCGIHXGJU-GOSISDBHSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WGI8YVCXUR
Name Roecarboline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-23-9-8-15-16-11-19(25-2)20(26-3)12-17(16)22-21(15)18(23)10-13-4-6-14(24)7-5-13/h4-7,11-12,18,22,24H,8-10H2,1-3H3/t18-/m1/s1
InChIKey YQWJJRCGIHXGJU-GOSISDBHSA-N
Molecular Weight 352.434 g/mol
SMILES [nH]1c2cc(c(cc2c2c1[C@@](Cc1ccc(cc1)O)(N(CC2)C)[H])OC)OC
SPLASH splash10-0002-0090000000-b03323afcd999df17cf7
Source of Spectrum X2-53-742-1
Wiley ID 1603609