| SpectraBase Spectrum ID |
5PdbpMXiKNt |
| Name |
1H-indole-3-propanoic acid, beta-(4-chlorophenyl)-alpha-nitro-, methylester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.072034667 u |
| Formula |
C18H15ClN2O4 |
| InChI |
InChI=1S/C18H15ClN2O4/c1-25-18(22)17(21(23)24)16(11-6-8-12(19)9-7-11)14-10-20-15-5-3-2-4-13(14)15/h2-10,16-17,20H,1H3 |
| InChIKey |
NXFNMFQEHPUXLW-UHFFFAOYSA-N |
| Molecular Weight |
358.781 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3394 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9278259; Lab Number: BAS 0780593 |
| Temperature |
29.85 °C |
