| SpectraBase Spectrum ID |
YvaCmLLNYC |
| Name |
[3-(3,3-Dimethyl-but-1-ynyl)-1-methoxy-2,2-dimethyl-cyclopropyl]-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.182715392 u |
| Formula |
C18H24O |
| InChI |
InChI=1S/C18H24O/c1-16(2,3)13-12-15-17(4,5)18(15,19-6)14-10-8-7-9-11-14/h7-11,15H,1-6H3 |
| InChIKey |
PNXRMBAJESNLLQ-UHFFFAOYSA-N |
| Molecular Weight |
256.389 g/mol |
| SMILES |
C1(C(OC)(C2=CC=CC=C2)C1(C)C)C#CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888145 |
![[3-(3,3-Dimethyl-but-1-ynyl)-1-methoxy-2,2-dimethyl-cyclopropyl]-benzene](/api/spectrum/YvaCmLLNYC/structure.png?h=300&w=458 "[3-(3,3-Dimethyl-but-1-ynyl)-1-methoxy-2,2-dimethyl-cyclopropyl]-benzene")
