| SpectraBase Compound ID | BgTcBGCQNXw |
|---|---|
| InChI | InChI=1S/C10H11NO2/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9/h1-2,7H,3-5,11H2 |
| InChIKey | AHYFDWHTTFREHS-UHFFFAOYSA-N |
| Mol Weight | 177.2 g/mol |
| Molecular Formula | C10H11NO2 |
| Exact Mass | 177.078979 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7384FkLmFIj |
|---|---|
| Name | 4,5-MDAI |
| Catalog Number | 9002653 |
| CAS Registry Number | 124399-90-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H11NO2 |
| InChI | InChI=1S/C10H11NO2/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9/h1-2,7H,3-5,11H2 |
| InChIKey | AHYFDWHTTFREHS-UHFFFAOYSA-N |
| Molecular Weight | 177.203 g/mol |
| SMILES | NC1Cc2ccc3c(c2C1)OCO3 |
| SPLASH | splash10-01t9-4900000000-d712205da7c4f5eecdfd |
| Source of Spectrum | CAY-2023-777-0 |
| Wiley ID | 1888735 |