| SpectraBase Spectrum ID |
CiCBuwNC0uY |
| Name |
homocysteine, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrobenzoyl)amino]-1-oxo-2-propenyl]-S-methyl- |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C22H21N3O8S/c1-34-8-7-16(22(28)29)23-21(27)17(9-13-5-6-18-19(10-13)33-12-32-18)24-20(26)14-3-2-4-15(11-14)25(30)31/h2-6,9-11,16H,7-8,12H2,1H3,(H,23,27)(H,24,26)(H,28,29)/b17-9- |
| InChIKey |
DLIQXUZVQZDIAU-MFOYZWKCSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_CB3_9000_5053 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: NMR/12218346 |
![homocysteine, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrobenzoyl)amino]-1-oxo-2-propenyl]-S-methyl-](/api/spectrum/CiCBuwNC0uY/structure.png?h=300&w=458 "homocysteine, N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrobenzoyl)amino]-1-oxo-2-propenyl]-S-methyl-")
