| SpectraBase Spectrum ID |
CbGhnCSkP1M |
| Name |
Methyl 3,5-dimethyl-1-oxoisochroman-3-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-8-5-4-6-9-10(8)7-13(2,12(15)16-3)17-11(9)14/h4-6H,7H2,1-3H3 |
| InChIKey |
XYXWPHQRTLPUCT-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard 5890 Series II-5971A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.143 |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C1(OC(c2c(C1)c(ccc2)C)=O)(C)C(OC)=O |
| SPLASH |
splash10-004i-2900000000-fcf05b264e46235299b3 |
| Source of Spectrum |
BJO-13-SM7-4e |
| Thin-Layer Chromatography |
Rf = 0.30 (PE:EtOAc, 4:1) |
| Wiley ID |
1848198 |
