| SpectraBase Spectrum ID |
Bz9Rino1TTC |
| Name |
Methyl 3,7-dimethyl-1-oxoisochroman-3-carboxylate |
| Appearance |
Foam |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-8-4-5-9-7-13(2,12(15)16-3)17-11(14)10(9)6-8/h4-6H,7H2,1-3H3 |
| InChIKey |
CQSLYJQKAFISLC-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)ccc(c2)C)=O)(C)C(OC)=O |
| SPLASH |
splash10-004i-2900000000-5fddac2dc56a71e8a030 |
| Source of Spectrum |
BJO-13-SM8-4g |
| Thin-Layer Chromatography |
Rf = 0.19 (PE:EtOAc, 5:1) |
| Wiley ID |
1848200 |
