| SpectraBase Spectrum ID |
KIj6mnQJ4tD |
| Name |
4-(3-{[(E)-(1,3-benzodioxol-5-ylimino)(methylamino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid |
| 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/C20H17N3O6S/c1-21-20(22-12-4-7-14-15(8-12)29-10-28-14)30-16-9-17(24)23(18(16)25)13-5-2-11(3-6-13)19(26)27/h2-8,16H,9-10H2,1H3,(H,21,22)(H,26,27) |
| InChIKey |
BRAAOBUYJNEWEB-UHFFFAOYSA-N |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_1600 |
| 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: UZI/8024848; UBI_ID: UBI-001601 |
| Synonyms |
4-(3-{[(1,3-benzodioxol-5-ylimino)(methylamino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid |
| Temperature |
308 °C |
![4-(3-{[(E)-(1,3-benzodioxol-5-ylimino)(methylamino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid](/api/spectrum/KIj6mnQJ4tD/structure.png?h=300&w=458 "4-(3-{[(E)-(1,3-benzodioxol-5-ylimino)(methylamino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoic acid")
