| SpectraBase Spectrum ID |
AaG7a3VOOfn |
| Name |
(2R,7R)-2-(Methoxymethyl)-7-methylcycloheptanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.130679818 u |
| Formula |
C10H18O2 |
| InChI |
InChI=1S/C10H18O2/c1-8-5-3-4-6-9(7-12-2)10(8)11/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1 |
| InChIKey |
MCCZGLKVVMWWAE-RKDXNWHRSA-N |
| Molecular Weight |
170.252 g/mol |
| SMILES |
C1([C@@](COC)(CCCC[C@]1(C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951379 |
