| SpectraBase Spectrum ID |
L2DT8qKnxWx |
| Name |
Methyl 1,13-octadecatrienoate, adduct with 1-methyl-1,3,4-triazolin-2,5-diene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
407.278406679 u |
| Formula |
C22H37N3O4 |
| InChI |
InChI=1S/C22H37N3O4/c1-4-5-13-18-16-17-19(25-22(28)23(2)21(27)24(18)25)14-11-9-7-6-8-10-12-15-20(26)29-3/h16-19H,4-15H2,1-3H3 |
| InChIKey |
CSPSIRSEUPHZJM-UHFFFAOYSA-N |
| Molecular Weight |
407.555 g/mol |
| SMILES |
C(CC(=O)OC)CCCCCCCC1C=CC(CCCC)N2N1C(=O)N(C2=O)C |
