SpectraBase Spectrum ID |
AXPLXVBWeZg |
Name |
benzamide, N-[5,6-dihydro-3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-4H-cyclopenta[b]thien-2-yl]-3-methyl- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
459.198048358 u |
Formula |
C27H29N3O2S |
InChI |
InChI=1S/C27H29N3O2S/c1-19-7-5-10-21(17-19)25(31)28-26-24(22-11-6-12-23(22)33-26)27(32)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,31) |
InChIKey |
BCGLCECNVJYMAR-UHFFFAOYSA-N |
Molecular Weight |
459.608 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_3851 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/8116978; Lab Info: DEC; Lab Number: DEC-dvv0390 |