| SpectraBase Spectrum ID |
AY2YPjyXD6Z |
| Name |
2H-1-Benzopyran-2,5(3H)-dione, 4,6,7,8-tetrahydro-7,7-dimethyl-4-(4-nitrophenyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.110672646 u |
| Formula |
C17H17NO5 |
| InChI |
InChI=1S/C17H17NO5/c1-17(2)8-13(19)16-12(7-15(20)23-14(16)9-17)10-3-5-11(6-4-10)18(21)22/h3-6,12H,7-9H2,1-2H3 |
| InChIKey |
LISDJFGTPKQELX-UHFFFAOYSA-N |
| Molecular Weight |
315.325 g/mol |
| SMILES |
C12=C(C(CC(C2)(C)C)=O)C(CC(O1)=O)C=1C=CC(=CC1)N(=O)=O |
