| SpectraBase Spectrum ID |
A6T2K9qii9e |
| Name |
2H,6H-Benzo[1,2-B:5,4-B']dipyran-10-propanol, 3,4,7,8-tetrahydro-5-methoxy-2,2,8,8-tetramethyl-, 3,5-dinitrobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.210780609 u |
| Formula |
C27H32N2O9 |
| InChI |
InChI=1S/C27H32N2O9/c1-26(2)10-8-20-22(35-5)21-9-11-27(3,4)38-24(21)19(23(20)37-26)7-6-12-36-25(30)16-13-17(28(31)32)15-18(14-16)29(33)34/h13-15H,6-12H2,1-5H3 |
| InChIKey |
MJGVANOGBRQKHS-UHFFFAOYSA-N |
| Molecular Weight |
528.558 g/mol |
| SMILES |
C(CC1=C2C(=C(C3=C1OC(C)(C)CC3)OC)CCC(O2)(C)C)COC(=O)C1=CC(N(=O)=O)=CC(=C1)N(=O)=O |
![2H,6H-Benzo[1,2-b:5,4-b']dipyran-10-propanol, 3,4,7,8-tetrahydro-5-methoxy-2,2,8,8-tetramethyl-, 3,5-dinitrobenzoate](/api/spectrum/A6T2K9qii9e/structure.png?h=300&w=458 "2H,6H-Benzo[1,2-b:5,4-b']dipyran-10-propanol, 3,4,7,8-tetrahydro-5-methoxy-2,2,8,8-tetramethyl-, 3,5-dinitrobenzoate")
