| SpectraBase Spectrum ID |
GQSDE2TdFfN |
| Name |
[(1R,2E)-2-[(2R)-2-(Methoxymethyl)pyrrolidin-1-yl]imino-1-nonyl-cyclopentyl]methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.308978534 u |
| Formula |
C21H40N2O2 |
| InChI |
InChI=1S/C21H40N2O2/c1-3-4-5-6-7-8-9-14-21(18-24)15-10-13-20(21)22-23-16-11-12-19(23)17-25-2/h19,24H,3-18H2,1-2H3/b22-20+/t19-,21+/m1/s1 |
| InChIKey |
MBVKAZUCPXTFPH-WMZGQSCCSA-N |
| Molecular Weight |
352.563 g/mol |
| SMILES |
[C@@]1(N(\N=C\2[C@](CO)(CCC2)CCCCCCCCC)CCC1)(COC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832484 |
![[(1R,2E)-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-nonyl-cyclopentyl]methanol](/api/spectrum/GQSDE2TdFfN/structure.png?h=300&w=458 "[(1R,2E)-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-nonyl-cyclopentyl]methanol")
