| SpectraBase Spectrum ID |
HUaT9Ob66Il |
| Name |
benzoic acid, 2-[3a,4,6,6a-tetrahydro-4,6-dioxo-3-[(E)-2-phenylethenyl]-5H-pyrrolo[3,4-d]isoxazol-5-yl]-, methyl ester |
| 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/C21H16N2O5/c1-27-21(26)14-9-5-6-10-16(14)23-19(24)17-15(22-28-18(17)20(23)25)12-11-13-7-3-2-4-8-13/h2-12,17-18H,1H3/b12-11+ |
| InChIKey |
RLPVGECMZHGKGW-VAWYXSNFSA-N |
| NMR Offset |
15.5012 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_11628_7826 |
| 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: F31165; Labnumber: NNN-Z60674 |
![benzoic acid, 2-[3a,4,6,6a-tetrahydro-4,6-dioxo-3-[(E)-2-phenylethenyl]-5H-pyrrolo[3,4-d]isoxazol-5-yl]-, methyl ester](/api/spectrum/HUaT9Ob66Il/structure.png?h=300&w=458 "benzoic acid, 2-[3a,4,6,6a-tetrahydro-4,6-dioxo-3-[(E)-2-phenylethenyl]-5H-pyrrolo[3,4-d]isoxazol-5-yl]-, methyl ester")
