| SpectraBase Spectrum ID |
F3o77a5xTJu |
| Name |
{[2'-(Benzylsulfanyl)-3'-phenylpropyl]pentyl}-[2-(methoxymethyl)pyrrolidin-1-yl]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.286135089 u |
| Formula |
C27H40N2OS |
| InChI |
InChI=1S/C27H40N2OS/c1-3-4-16-25(28-29-18-11-17-26(29)21-30-2)20-27(19-23-12-7-5-8-13-23)31-22-24-14-9-6-10-15-24/h5-10,12-15,25-28H,3-4,11,16-22H2,1-2H3 |
| InChIKey |
ZLKAICBBWMSVEC-UHFFFAOYSA-N |
| Molecular Weight |
440.690 g/mol |
| SMILES |
C(NN1C(COC)CCC1)(CC(SCC=1C=CC=CC1)CC1=CC=CC=C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904476 |
![{[2'-(Benzylsulfanyl)-3'-phenylpropyl]pentyl}-[2-(methoxymethyl)pyrrolidin-1-yl]amine](/api/spectrum/F3o77a5xTJu/structure.png?h=300&w=458 "{[2'-(Benzylsulfanyl)-3'-phenylpropyl]pentyl}-[2-(methoxymethyl)pyrrolidin-1-yl]amine")
