SpectraBase Spectrum ID |
AShlRIos1UW |
Name |
3,7,11-Trimethyldodec-2-enoic acid, pyrrolidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
293.271864750 u |
Formula |
C19H35NO |
InChI |
InChI=1S/C19H35NO/c1-16(2)9-7-10-17(3)11-8-12-18(4)15-19(21)20-13-5-6-14-20/h15-17H,5-14H2,1-4H3/b18-15+ |
InChIKey |
FTNKYHQKQMYRHR-OBGWFSINSA-N |
SMILES |
C\C(=C/C(N1CCCC1)=O)CCCC(CCCC(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942059 |