| SpectraBase Spectrum ID |
1hS7uo2hcB3 |
| Name |
4-Tert-butyl-5-(8-bromo-7-methoxynaphthalen-5-yl)-3,3-dimethyl-2,3-dihydrofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.103793043 u |
| Formula |
C21H25BrO2 |
| InChI |
InChI=1S/C21H25BrO2/c1-20(2,3)19-18(24-12-21(19,4)5)15-11-16(23-6)17(22)14-10-8-7-9-13(14)15/h7-11H,12H2,1-6H3 |
| InChIKey |
NXEKMQYMLRHZPD-UHFFFAOYSA-N |
| Molecular Weight |
389.333 g/mol |
| SMILES |
C1OC(=C(C1(C)C)C(C)(C)C)C=1C2=CC=CC=C2C(=C(C1)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903584 |
