| SpectraBase Spectrum ID |
2BPmt3OO2jC |
| Name |
1-{[((1R*,2S*)-2-chloro-1-methylcyclopropyl)methoxy]methyl}-4-methoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.091707485 u |
| Formula |
C13H17ClO2 |
| InChI |
InChI=1S/C13H17ClO2/c1-13(7-12(13)14)9-16-8-10-3-5-11(15-2)6-4-10/h3-6,12H,7-9H2,1-2H3/t12-,13+/m0/s1 |
| InChIKey |
NPWPIBRUDVYHAH-QWHCGFSZSA-N |
| Molecular Weight |
240.730 g/mol |
| SMILES |
[C@@]1([C@@](Cl)(C1)[H])(COCC1=CC=C(C=C1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88187 |
![1-{[((1R*,2S*)-2-chloro-1-methylcyclopropyl)methoxy]methyl}-4-methoxybenzene](/api/spectrum/2BPmt3OO2jC/structure.png?h=300&w=458 "1-{[((1R*,2S*)-2-chloro-1-methylcyclopropyl)methoxy]methyl}-4-methoxybenzene")
