| SpectraBase Spectrum ID |
7wKHcuD5NSD |
| Name |
N-((1R,4s,7S)-8-Oxabicyclo[5.1.0]octan-4-yl)-2-nitrobenzenesulfonamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16N2O5S |
| InChI |
InChI=1S/C13H16N2O5S/c16-15(17)10-3-1-2-4-13(10)21(18,19)14-9-5-7-11-12(20-11)8-6-9/h1-4,9,11-12,14H,5-8H2/t9-,11-,12+ |
| InChIKey |
KQUBYDQUSTUNIN-WLLOZRIZSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
312.340 g/mol |
| Reported Formula |
C13H16N2O5S |
| SMILES |
N(S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@]1(CC[C@]2([C@@](CC1)(O2)[H])[H])[H] |
| SPLASH |
splash10-004r-6920000000-71e7cdf28bf9149a1992 |
| Sample Comments |
mixture of trans/cis (2.8:1) |
| Source of Spectrum |
ACI-59-SM28-1b |
| Wiley ID |
1857732 |
![N-((1R,4s,7S)-8-Oxabicyclo[5.1.0]octan-4-yl)-2-nitrobenzenesulfonamide](/api/spectrum/7wKHcuD5NSD/structure.png?h=300&w=458 "N-((1R,4s,7S)-8-Oxabicyclo[5.1.0]octan-4-yl)-2-nitrobenzenesulfonamide")
