| SpectraBase Spectrum ID |
9OPwLkAiB4p |
| Name |
2-Trans-3-cis-1-tert-butoxy-2-methyl-3-phenylcyclopropyane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.151415263 u |
| Formula |
C14H20O |
| InChI |
InChI=1S/C14H20O/c1-10-12(11-8-6-5-7-9-11)13(10)15-14(2,3)4/h5-10,12-13H,1-4H3/t10-,12+,13+/m0/s1 |
| InChIKey |
CVPUXRNMZMDOLX-CYZMBNFOSA-N |
| Molecular Weight |
204.313 g/mol |
| SMILES |
[C@@]1([C@@](C)([C@@]1(C=1C=CC=CC1)[H])[H])(OC(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942139 |
