| SpectraBase Spectrum ID |
AI3rj0Ey4Px |
| Name |
1-Tert-butyl-4-(propargyloxy)benzene; p-tert-butylphenyl 2-propynyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.120115134 u |
| Formula |
C13H16O |
| InChI |
InChI=1S/C13H16O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h1,6-9H,10H2,2-4H3 |
| InChIKey |
LCKMFILTJDWOQW-UHFFFAOYSA-N |
| Molecular Weight |
188.270 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(C)(C)C)OCC#C |
| Spectrum/Structure Validation Score (Raman) |
0.991061 |
