| SpectraBase Spectrum ID |
1jUhMVAxiE5 |
| Name |
Methyl 3-methyl-1-oxoisochroman-3-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O4 |
| InChI |
InChI=1S/C12H12O4/c1-12(11(14)15-2)7-8-5-3-4-6-9(8)10(13)16-12/h3-6H,7H2,1-2H3 |
| InChIKey |
WAFWIJMZCNUWSJ-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard 5890 Series II-5971A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.143 |
| Molecular Weight |
220.224 g/mol |
| SMILES |
C1(OC(c2c(C1)cccc2)=O)(C)C(OC)=O |
| SPLASH |
splash10-03ec-5900000000-f2b7ddb6f3e538f1be99 |
| Source of Spectrum |
BJO-13-SM6-4c |
| Thin-Layer Chromatography |
Rf = 0.29 (PE:EtOAc, 4:1) |
| Wiley ID |
1848196 |
