| SpectraBase Spectrum ID |
G0fZ0riX7bS |
| Name |
1-Methoxy-4-((1R*,2S*)-2-pent-1-ynylcyclopropylmethoxymethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.161979946 u |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-3-4-5-6-15-11-16(15)13-19-12-14-7-9-17(18-2)10-8-14/h7-10,15-16H,3-4,11-13H2,1-2H3/t15-,16-/m0/s1 |
| InChIKey |
PLRMJMUUTCNQMO-HOTGVXAUSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
[C@]1(C#CCCC)([C@@]([H])(C1)COCC1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962839 |
