| SpectraBase Spectrum ID |
2k2pp9iyAmm |
| Name |
2-Bromanyl-1,4,5-trimethoxy-3-prop-2-enyl-naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.036107404 u |
| Formula |
C16H17BrO3 |
| InChI |
InChI=1S/C16H17BrO3/c1-5-7-11-14(17)16(20-4)10-8-6-9-12(18-2)13(10)15(11)19-3/h5-6,8-9H,1,7H2,2-4H3 |
| InChIKey |
REKCDYJPTLTDFU-UHFFFAOYSA-N |
| Molecular Weight |
337.213 g/mol |
| SMILES |
C=1(C(=C(C(=C2C(=CC=CC12)OC)OC)CC=C)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852616 |
