| SpectraBase Spectrum ID |
KaeOdtnsbKX |
| Name |
Ethyl 4-Acetyl-1,3-dihydro-3-methyl-8-nitro-2-benzoxepine-1-carboxylate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17NO6 |
| InChI |
InChI=1S/C16H17NO6/c1-4-22-16(19)15-14-8-12(17(20)21)6-5-11(14)7-13(9(2)18)10(3)23-15/h5-8,10,15H,4H2,1-3H3 |
| InChIKey |
YKLUUIQJTIBYTM-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/hlca.201200004 |
| Molecular Weight |
319.313 g/mol |
| SMILES |
C1(OC(c2c(C=C1C(=O)C)ccc(c2)[N+](=O)[O-])C(=O)OCC)C |
| SPLASH |
splash10-0uea-0391000000-bd8dfc49f608efd3463b |
| Source of Spectrum |
H-95-1422-15j_13 |
| Synonyms |
Ethyl 4-acetyl-3-methyl-8-nitro-1,3-dihydrobenzo[c]oxepine-1-carboxylate |
| Wiley ID |
1784398 |
