| SpectraBase Spectrum ID |
LZYeM0wcHif |
| Name |
4-Methyl-N-((1R,4s,7S)-4-(m-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/c1-15-6-8-18(9-7-15)26(23,24)22-21(17-5-3-4-16(2)14-17)12-10-19-20(25-19)11-13-21/h3-9,14,19-20,22H,10-13H2,1-2H3/t19-,20+,21- |
| InChIKey |
HNQYQHKQHDMIFV-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(c2cccc(c2)C)CC[C@]2([C@@](CC1)(O2)[H])[H] |
| SPLASH |
splash10-066r-3793000000-bc8e4cc3c5643d30b309 |
| Sample Comments |
mixture of diastereoisomers (trans/cis, 1.1:1) |
| Source of Spectrum |
ACI-59-SM33-1j |
| Wiley ID |
1857740 |
![4-Methyl-N-((1R,4s,7S)-4-(m-tolyl)-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide](/api/spectrum/LZYeM0wcHif/structure.png?h=300&w=458 "4-Methyl-N-((1R,4s,7S)-4-(m-tolyl)-8-oxabicyclo[5.1.0]octan-4-yl)benzenesulfonamide")
