| SpectraBase Spectrum ID |
20uR5I88rSA |
| Name |
Dimethyl 3-methyl-2-oxo-T-6-phenyltetrahydro-2H-pyran-R-3,T-5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.110338294 u |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-16(14(18)21-3)9-11(13(17)20-2)12(22-15(16)19)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3/t11-,12-,16+/m1/s1 |
| InChIKey |
MOYOIUCGXDDFHF-HSMVNMDESA-N |
| SMILES |
[C@]1(C(O[C@@]([C@@](C1)(C(=O)OC)[H])(C=1C=CC=CC1)[H])=O)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834764 |
