SpectraBase Spectrum ID |
JzkJtN8gmaJ |
Name |
3-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
Author |
A.V.Yarkov, IPAC, Russia |
Copyright |
Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved. |
InChI |
InChI=1S/C16H17NO6/c18-15(13-10-3-4-11(23-10)14(13)16(19)20)17-6-8-1-2-9-12(5-8)22-7-21-9/h1-2,5,10-11,13-14H,3-4,6-7H2,(H,17,18)(H,19,20)/t10-,11+,13+,14+/m0/s1 |
InChIKey |
XHVAQSUMCKGURD-OIMNJJJWSA-N |
NMR Offset |
15.328 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_9957 |
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/9068013; UBI_ID: UBI-009960 |
Temperature |
318 °C |