![6,7-(Methylenedioxy)-3,4-dihydro-1-methyl-1-(methoxycarbonyl)methyl]-isochromane](/api/spectrum/3WKEKbwBR59/structure.png?h=300&w=458 "6,7-(Methylenedioxy)-3,4-dihydro-1-methyl-1-(methoxycarbonyl)methyl]-isochromane")
| SpectraBase Compound ID | 4EMRHypWXb6 |
|---|---|
| InChI | InChI=1S/C14H16O5/c1-14(7-13(15)16-2)10-6-12-11(17-8-18-12)5-9(10)3-4-19-14/h5-6H,3-4,7-8H2,1-2H3 |
| InChIKey | KZPMTFRWAPBOBN-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C14H16O5 |
| Exact Mass | 264.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WKEKbwBR59 |
|---|---|
| Name | 6,7-(Methylenedioxy)-3,4-dihydro-1-methyl-1-(methoxycarbonyl)methyl]-isochromane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.099773610 u |
| Formula | C14H16O5 |
| InChI | InChI=1S/C14H16O5/c1-14(7-13(15)16-2)10-6-12-11(17-8-18-12)5-9(10)3-4-19-14/h5-6H,3-4,7-8H2,1-2H3 |
| InChIKey | KZPMTFRWAPBOBN-UHFFFAOYSA-N |
| Molecular Weight | 264.277 g/mol |
| SMILES | C1(C2=CC=3OCOC3C=C2CCO1)(CC(=O)OC)C |