| SpectraBase Spectrum ID |
481Rwd8tSN |
| Name |
N-(-)-(S)-2-methoxymethylpyrrolidinyl-(S)-2-(p-methoxyphenyl)-3-methoxy-2,5-dihydropyrrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.194342702 u |
| Formula |
C18H26N2O3 |
| InChI |
InChI=1S/C18H26N2O3/c1-21-13-15-5-4-11-19(15)20-12-10-17(23-3)18(20)14-6-8-16(22-2)9-7-14/h6-10,15,18H,4-5,11-13H2,1-3H3/t15-,18-/m0/s1 |
| InChIKey |
KSPPZHABZWYQQC-YJBOKZPZSA-N |
| Molecular Weight |
318.417 g/mol |
| SMILES |
[C@]1(N(N2[C@](C(OC)=CC2)(C=2C=CC(=CC2)OC)[H])CCC1)(COC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915545 |
