| SpectraBase Spectrum ID |
CoNbauf5rV0 |
| Name |
1-Methoxy-2,3-diethyl-7-methoxymethylindene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-5-12-13(6-2)16(18-4)15-11(10-17-3)8-7-9-14(12)15/h7-9,16H,5-6,10H2,1-4H3 |
| InChIKey |
SJXHMBCLJCXTMM-UHFFFAOYSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C1(=C(C(OC)C2=C1C=CC=C2COC)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864126 |
