| SpectraBase Spectrum ID |
5C48FDGCA8J |
| Name |
Pyrrolidine, 5-heptyl-2-hexyl-1-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.292600195 u |
| Formula |
C18H37N |
| InChI |
InChI=1S/C18H37N/c1-4-6-8-10-12-14-18-16-15-17(19(18)3)13-11-9-7-5-2/h17-18H,4-16H2,1-3H3 |
| InChIKey |
VCXVTMUHXPLXGB-UHFFFAOYSA-N |
| Molecular Weight |
267.501 g/mol |
| SMILES |
C1(N(C(CCCCCC)CC1)C)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884003 |
