SpectraBase Spectrum ID |
rc8opV3lyc |
Name |
6-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic 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/C23H23BrN2O6/c24-17-8-6-16(7-9-17)22(29)26-18(23(30)25-11-3-1-2-4-21(27)28)12-15-5-10-19-20(13-15)32-14-31-19/h5-10,12-13H,1-4,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12+ |
InChIKey |
KFOFWRFWGVVFBS-LDADJPATSA-N |
NMR Offset |
15.3537 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI-VK_18310_11247 |
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: 802425; Labnumber: AEGU8-1659; VK_ID: VK-011251 |
Synonyms |
6-({3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic acid |
Temperature |
308 °C |