| SpectraBase Spectrum ID |
Bo5j4Fw90fI |
| Name |
Methyl 7-bromo-3-methyl-1-oxoisochroman-3-carboxylate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11BrO4 |
| InChI |
InChI=1S/C12H11BrO4/c1-12(11(15)16-2)6-7-3-4-8(13)5-9(7)10(14)17-12/h3-5H,6H2,1-2H3 |
| InChIKey |
HCHPOQPIVYNBHV-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard 5890 Series II-5971A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.143 |
| Molecular Weight |
299.120 g/mol |
| SMILES |
C1(OC(c2c(C1)ccc(c2)Br)=O)(C)C(OC)=O |
| SPLASH |
splash10-000f-5190000000-6d0a2bb99c4bfe2d0a01 |
| Source of Spectrum |
BJO-13-SM9-4i |
| Thin-Layer Chromatography |
Rf = 0.34 (PE:EtOAc, 4:1) |
| Wiley ID |
1848201 |
