| SpectraBase Spectrum ID |
C4trTn4OULP |
| Name |
N-((1R,4s,7S)-4-(2-Methoxyphenyl)-8-oxabicyclo[5.1.0]octan-4-yl)-4-methylbenzenesulfonamide |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO4S |
| InChI |
InChI=1S/C21H25NO4S/c1-15-7-9-16(10-8-15)27(23,24)22-21(13-11-19-20(26-19)12-14-21)17-5-3-4-6-18(17)25-2/h3-10,19-20,22H,11-14H2,1-2H3/t19-,20+,21- |
| InChIKey |
SJELEDQWFXGGMN-WKCHPHFGSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
387.494 g/mol |
| Reported Formula |
C21H25NO4S |
| SMILES |
N(S(=O)(=O)c1ccc(cc1)C)[C@]1(c2c(cccc2)OC)CC[C@]2([C@@](CC1)(O2)[H])[H] |
| SPLASH |
splash10-00di-2922000000-93a7603bf94c5c8c9a81 |
| Sample Comments |
mixture of diastereoisomers (trans/cis, 1.9:1) |
| Source of Spectrum |
ACI-59-SM34-1l |
| Wiley ID |
1857742 |
![N-((1R,4s,7S)-4-(2-Methoxyphenyl)-8-oxabicyclo[5.1.0]octan-4-yl)-4-methylbenzenesulfonamide](/api/spectrum/C4trTn4OULP/structure.png?h=300&w=458 "N-((1R,4s,7S)-4-(2-Methoxyphenyl)-8-oxabicyclo[5.1.0]octan-4-yl)-4-methylbenzenesulfonamide")
