| SpectraBase Spectrum ID |
GXTsc1ElYiU |
| Name |
24-Methyl-pentacos-5,9-dienoic acid, pyrrolidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.428365394 u |
| Formula |
C30H55NO |
| InChI |
InChI=1S/C30H55NO/c1-29(2)25-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26-30(32)31-27-23-24-28-31/h8,10,16,18,29H,3-7,9,11-15,17,19-28H2,1-2H3/b10-8-,18-16- |
| InChIKey |
ZQCPZGRUMREIDN-CVQIAKFNSA-N |
| Molecular Weight |
445.776 g/mol |
| SMILES |
C(N1CCCC1)(CCC\C=C/CC\C=C/CCCCCCCCCCCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957 |
