| SpectraBase Spectrum ID |
EAjCX2ohMGG |
| Name |
cis-2-tert-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/c1-7-8-9-10-11-12-13-14-21-19-23(29-6)24(25(3,4)5)26(21)30(27,28)22-17-15-20(2)16-18-22/h15-19,21,24H,7-14H2,1-6H3/t21-,24-/m0/s1 |
| InChIKey |
QKYDZEMOTOCSGS-URXFXBBRSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800598 |
| Molecular Weight |
435.667 g/mol |
| Quality |
58 |
| Reported Formula |
C25H41NO3S |
| SMILES |
C1=C([C@](N([C@]1(CCCCCCCCC)[H])S(C1=CC=C(C=C1)C)(=O)=O)(C(C)(C)C)[H])OC |
| SPLASH |
splash10-004i-1009000000-e429e92131966eb34fd4 |
| Sample Comments |
Major isomer, cis/trans = 70:30 |
| Source of Spectrum |
K1-2018-SM17-cis-19 (DOI: 10.1002/ejoc.201800598) |
| Wiley ID |
1894194 |
