| SpectraBase Spectrum ID |
2FzyCPad2Qd |
| Name |
(1R,2R)-2-[2'-Acetoxyphenyl]-2-methoxy-1-benzoyl-1-bromoethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.031022023 u |
| Formula |
C18H17BrO4 |
| InChI |
InChI=1S/C18H17BrO4/c1-12(20)23-15-11-7-6-10-14(15)18(22-2)16(19)17(21)13-8-4-3-5-9-13/h3-11,16,18H,1-2H3/t16-,18+/m0/s1 |
| InChIKey |
ROVWHAAVERTNQL-FUHWJXTLSA-N |
| Molecular Weight |
377.234 g/mol |
| SMILES |
[C@]([C@@](C=1C(OC(=O)C)=CC=CC1)(OC)[H])(C(=O)C=1C=CC=CC1)(Br)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818138 |
![(1R,2R)-2-[2'-Acetoxyphenyl]-2-methoxy-1-benzoyl-1-bromoethane](/api/spectrum/2FzyCPad2Qd/structure.png?h=300&w=458 "(1R,2R)-2-[2'-Acetoxyphenyl]-2-methoxy-1-benzoyl-1-bromoethane")
