| SpectraBase Spectrum ID |
LsVOL4wRZBP |
| Name |
(.alpha.S,.beta.-S;.alpha.R,.beta.R)-2-(Acetoxyphenylmethyl)-2,6-dimethoxybenzo[B]futan-3(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.110338294 u |
| Formula |
C19H18O6 |
| InChI |
InChI=1S/C19H18O6/c1-12(20)24-18(13-7-5-4-6-8-13)19(23-3)17(21)15-10-9-14(22-2)11-16(15)25-19/h4-11,18H,1-3H3/t18-,19+/m0/s1 |
| InChIKey |
WTQKGULWKJIOSE-RBUKOAKNSA-N |
| Molecular Weight |
342.347 g/mol |
| SMILES |
[C@@]1(OC2=CC(OC)=CC=C2C1=O)([C@@](OC(=O)C)(C1=CC=CC=C1)[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935275 |
![(.alpha.S,.beta.-S;.alpha.R,.beta.R)-2-(Acetoxyphenylmethyl)-2,6-dimethoxybenzo[b]futan-3(2H)-one](/api/spectrum/LsVOL4wRZBP/structure.png?h=300&w=458 "(.alpha.S,.beta.-S;.alpha.R,.beta.R)-2-(Acetoxyphenylmethyl)-2,6-dimethoxybenzo[b]futan-3(2H)-one")
