SpectraBase Spectrum ID |
4mCPPHDmqB9 |
Name |
N-benzyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-triene-13-carboxamide |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.119798036 u |
Formula |
C19H19N3O2S |
InChI |
InChI=1S/C19H19N3O2S/c1-19-15(17(23)20-11-12-7-3-2-4-8-12)16(21-18(25)22-19)13-9-5-6-10-14(13)24-19/h2-10,15-16H,11H2,1H3,(H,20,23)(H2,21,22,25)/t15?,16-,19+/m1/s1 |
InChIKey |
XTZQYSHCZWZFLX-KSBCIKQNSA-N |
Molecular Weight |
353.440 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_13579 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/10011451; Lab Info: FG; Lab Number: YaF-3-032 |