| SpectraBase Spectrum ID |
7M9TE8IFozt |
| Name |
(E)-16-Tert-butoxyhexadec-6-en-4-ynyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.282095081 u |
| Formula |
C22H38O3 |
| InChI |
InChI=1S/C22H38O3/c1-21(23)24-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-25-22(2,3)4/h7,9H,5-6,8,10,12,14-20H2,1-4H3/b9-7+ |
| InChIKey |
YQBSKHYVKPGCNR-VQHVLOKHSA-N |
| Molecular Weight |
350.543 g/mol |
| SMILES |
C(#CCCCOC(=O)C)\C=C\CCCCCCCCCOC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839118 |
