| SpectraBase Spectrum ID |
IYH76TEf14L |
| Name |
4-Ethyl 1,1-Dimethyl 3-Methyl-8-nitro-2-benzoxepine-1,1,4(3H)-tricarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NO9 |
| InChI |
InChI=1S/C18H19NO9/c1-5-27-15(20)13-8-11-6-7-12(19(23)24)9-14(11)18(16(21)25-3,17(22)26-4)28-10(13)2/h6-10H,5H2,1-4H3 |
| InChIKey |
QZORUDMJZSVQHO-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/hlca.201200004 |
| Molecular Weight |
393.348 g/mol |
| SMILES |
C1(OC(c2cc(ccc2C=C1C(=O)OCC)[N+](=O)[O-])(C(=O)OC)C(OC)=O)C |
| SPLASH |
splash10-0udi-0159000000-07793519e01232a761c8 |
| Source of Spectrum |
H-95-1421-15m_12 |
| Synonyms |
4-Ethyl 1,1-dimethyl 3-methyl-8-nitrobenzo[c]oxepine-1,1,4(3H)-tricarboxylate |
| Wiley ID |
1784402 |
