SpectraBase Spectrum ID |
26rfAGqI1nl |
Name |
1H-azepine, 1-[(4-chloro-3-nitrophenyl)sulfonyl]hexahydro- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
318.044105841 u |
Formula |
C12H15ClN2O4S |
InChI |
InChI=1S/C12H15ClN2O4S/c13-11-6-5-10(9-12(11)15(16)17)20(18,19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2 |
InChIKey |
CRHJSGALSIKJLW-UHFFFAOYSA-N |
Molecular Weight |
318.775 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_3421 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9278245; Lab Number: BAS 0668099 |
Temperature |
29.85 °C |