![1-(Benzo[d][1,3]dioxol-6-yl)-2-(nitromethyl)butan-1-one](/api/spectrum/AsZ9KovlBIJ/structure.png?h=300&w=458 "1-(Benzo[d][1,3]dioxol-6-yl)-2-(nitromethyl)butan-1-one")
| SpectraBase Compound ID | 4ya8keRMqfu |
|---|---|
| InChI | InChI=1S/C12H13NO5/c1-2-8(6-13(15)16)12(14)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,2,6-7H2,1H3 |
| InChIKey | OPGGTOSFBDHOLW-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C12H13NO5 |
| Exact Mass | 251.079373 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AsZ9KovlBIJ |
|---|---|
| Name | 1-(Benzo[d][1,3]dioxol-6-yl)-2-(nitromethyl)butan-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13NO5 |
| InChI | InChI=1S/C12H13NO5/c1-2-8(6-13(15)16)12(14)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,2,6-7H2,1H3 |
| InChIKey | OPGGTOSFBDHOLW-UHFFFAOYSA-N |
| Molecular Weight | 251.238 g/mol |
| SMILES | C(N(=O)=O)C(C(c1cc2OCOc2cc1)=O)CC |
| SPLASH | splash10-0002-0920000000-0ecd7c59bd7881e92663 |
| Source of Spectrum | J-73-9645-6a |
| Wiley ID | 1668826 |