| SpectraBase Spectrum ID |
EcLn95iyP5G |
| Name |
4-Methyl-N-((1R,4s,7S)-4-(o-tolyl)-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO3S |
| InChI |
InChI=1S/C21H25NO3S/c1-15-7-9-17(10-8-15)26(23,24)22-21(18-6-4-3-5-16(18)2)13-11-19-20(25-19)12-14-21/h3-10,19-20,22H,11-14H2,1-2H3/t19-,20+,21- |
| InChIKey |
VMSCSMFNVUPKML-WKCHPHFGSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
371.495 g/mol |
| Reported Formula |
C21H25NO3S |
| SMILES |
N(S(=O)(=O)c1ccc(cc1)C)[C@]1(c2c(cccc2)C)CC[C@]2([C@@](CC1)(O2)[H])[H] |
| SPLASH |
splash10-08fr-3539000000-fc72ba8e62dcbb1f2a06 |
| Sample Comments |
mixture of diastereoisomers (trans/cis, 1:1.2) |
| Source of Spectrum |
ACI-59-SM32-1i |
| Wiley ID |
1857739 |
![4-Methyl-N-((1R,4s,7S)-4-(o-tolyl)-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide](/api/spectrum/EcLn95iyP5G/structure.png?h=300&w=458 "4-Methyl-N-((1R,4s,7S)-4-(o-tolyl)-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide")
