| SpectraBase Spectrum ID |
F98sqcXjDgd |
| Name |
N-((1R,4s,7S)-4-(4-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/c1-15-3-9-18(10-4-15)27(23,24)22-21(13-11-19-20(26-19)12-14-21)16-5-7-17(25-2)8-6-16/h3-10,19-20,22H,11-14H2,1-2H3/t19-,20+,21- |
| InChIKey |
CDAKIMQXILUJFK-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(c2ccc(cc2)OC)CC[C@]2([C@@](CC1)(O2)[H])[H] |
| SPLASH |
splash10-0cei-6390000000-58ce9567e8eb9a6d791f |
| Sample Comments |
mixture of diastereoisomers (trans/cis, 1.1:1) |
| Source of Spectrum |
ACI-59-SM33-1k |
| Wiley ID |
1857741 |
![N-((1R,4s,7S)-4-(4-Methoxyphenyl)-8-oxabicyclo[5.1.0]octan-4-yl)-4-methylbenzenesulfonamide](/api/spectrum/F98sqcXjDgd/structure.png?h=300&w=458 "N-((1R,4s,7S)-4-(4-Methoxyphenyl)-8-oxabicyclo[5.1.0]octan-4-yl)-4-methylbenzenesulfonamide")
