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(16S)-18-(Hydroxymethyl)-isositsirkine

View entire compound with spectra: 1 MS (GC)

(16S)-18-(Hydroxymethyl)-isositsirkine
SpectraBase Compound ID DsH6P65YOad
InChI InChI=1S/C20H26N2O2/c1-2-13-10-22-8-7-16-15-5-3-4-6-18(15)21-20(16)19(22)9-17(13)14(11-23)12-24/h2-6,14,17,19,21,23-24H,7-12H2,1H3/b13-2+
InChIKey ZHFWTYPEFFXZMY-XNJYKOPJSA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GD9j7nDWJmV
Name (16S)-18-(Hydroxymethyl)-isositsirkine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O2
InChI InChI=1S/C20H26N2O2/c1-2-13-10-22-8-7-16-15-5-3-4-6-18(15)21-20(16)19(22)9-17(13)14(11-23)12-24/h2-6,14,17,19,21,23-24H,7-12H2,1H3/b13-2+
InChIKey ZHFWTYPEFFXZMY-XNJYKOPJSA-N
Molecular Weight 326.440 g/mol
SMILES [nH]1c2ccccc2c2c1C1N(C\C(C(C(CO)CO)C1)=C\C)CC2
SPLASH splash10-0g02-0984000000-1b8e6d92e2d24301dc1c
Source of Spectrum X2-46-410-4
Wiley ID 1601184