For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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
SpectraBase Compound ID D9bQoRW0S3x
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
Mol Weight 698.68 g/mol
Molecular Formula C34H38N2O14
Exact Mass 698.232304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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
Copyright Copyright © 2020-2025 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
Synonyms 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)
Wiley ID 1784401