| SpectraBase Spectrum ID |
EiX7gHtq5EQ |
| Name |
Diethyl 1,3-Dihydro-3-methyl-9-nitro-2-benzoxepine-1,4-dicarboxylate and Diethyl 1,3-Dihydro-3-methyl-7-nitro-2-benzoxepine-1,4-dicarboxylate |
| Alternate Name(s) |
Diethyl 3-methyl-7-nitro-1,3-dihydrobenzo[c]oxepine-1,4-dicarboxylate-diethyl 3-methyl-9-nitro-1,3-dihydrobenzo[c]oxepine-1,4-dicarboxylate (1/1) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H38N2O14 |
| InChI |
InChI=1S/2C17H19NO7/c1-4-23-16(19)14-9-11-8-12(18(21)22)6-7-13(11)15(25-10(14)3)17(20)24-5-2;1-4-23-16(19)12-9-11-7-6-8-13(18(21)22)14(11)15(25-10(12)3)17(20)24-5-2/h2*6-10,15H,4-5H2,1-3H3 |
| InChIKey |
KUBHLWXBJWKHSC-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/hlca.201200004 |
| Molecular Weight |
698.678 g/mol |
| SMILES |
C1(OC(c2c(C=C1C(=O)OCC)cccc2[N+](=O)[O-])C(=O)OCC)C.C1(OC(c2c(C=C1C(=O)OCC)cc(cc2)[N+](=O)[O-])C(=O)OCC)C |
| SPLASH |
splash10-004i-0392000000-6d7fc94081f0fe06d9fd |
| Source of Spectrum |
H-95-1423-15l_13 |
| Wiley ID |
1784401 |
