| SpectraBase Spectrum ID |
FaUyVeF0DNX |
| Name |
cis-1-Benzyl-3-methoxy-5-nonyl-2,5-dihydro-1H-pyrrole |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.287514814 u |
| Formula |
C27H37NO |
| InChI |
InChI=1S/C27H37NO/c1-3-4-5-6-7-8-15-20-25-21-26(29-2)27(24-18-13-10-14-19-24)28(25)22-23-16-11-9-12-17-23/h9-14,16-19,21,25,27H,3-8,15,20,22H2,1-2H3/t25-,27+/m0/s1 |
| InChIKey |
WEMCSXNRWSPKLH-AHKZPQOWSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800598 |
| Molecular Weight |
391.599 g/mol |
| Quality |
53 |
| Reported Formula |
C27H37NO |
| SMILES |
C1=C([C@](N([C@]1(CCCCCCCCC)[H])CC1=CC=CC=C1)(C1=CC=CC=C1)[H])OC |
| SPLASH |
splash10-03di-3091000000-67beea2f5244ee5eb9c7 |
| Sample Comments |
Major isomer, cis/trans = 55:45 |
| Source of Spectrum |
K1-2018-SM18-cis-20 (DOI: 10.1002/ejoc.201800598) |
| Wiley ID |
1894195 |
