| SpectraBase Spectrum ID |
2zMXiTbM7dJ |
| Name |
(2S,3R)-5-Bromanyl-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.025542721 u |
| Formula |
C16H15BrO2 |
| InChI |
InChI=1S/C16H15BrO2/c1-10-14-9-12(17)5-8-15(14)19-16(10)11-3-6-13(18-2)7-4-11/h3-10,16H,1-2H3/t10-,16+/m1/s1 |
| InChIKey |
BWRIKBHEJIMUHB-HWPZZCPQSA-N |
| Molecular Weight |
319.198 g/mol |
| SMILES |
[C@]1(OC=2C([C@]1(C)[H])=CC(=CC2)Br)(C=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94335 |
