| SpectraBase Spectrum ID |
C71yWjVJtv3 |
| Name |
cis-2-Butyl-3-methoxy-5-nonyl-1-tosyl-2,5-dihydro-1H-pyrrole |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.280715355 u |
| Formula |
C25H41NO3S |
| InChI |
InChI=1S/C25H41NO3S/c1-5-7-9-10-11-12-13-14-22-20-25(29-4)24(15-8-6-2)26(22)30(27,28)23-18-16-21(3)17-19-23/h16-20,22,24H,5-15H2,1-4H3/t22-,24+/m0/s1 |
| InChIKey |
DTUVTWSKJWVXEO-LADGPHEKSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800598 |
| Molecular Weight |
435.667 g/mol |
| Quality |
29 |
| Reported Formula |
C25H41NO3S |
| SMILES |
C1=C([C@](N([C@]1(CCCCCCCCC)[H])S(C1=CC=C(C=C1)C)(=O)=O)(CCCC)[H])OC |
| SPLASH |
splash10-0a4i-2009000000-4353ef5b174202d6515f |
| Sample Comments |
Major isomer, cis/trans = 75:25 |
| Source of Spectrum |
K1-2018-4078-cis-18 (DOI: 10.1002/ejoc.201800598) |
| Wiley ID |
1894184 |
