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

*Links on SpectraBase are not permalinks.
Diethyl 1,3-dihydro-3-methyl-8-nitro-2-benzoxepine-1,4-dicarboxylate
SpectraBase Compound ID DIe1FtJLYK
InChI InChI=1S/C17H19NO7/c1-4-23-16(19)13-8-11-6-7-12(18(21)22)9-14(11)15(25-10(13)3)17(20)24-5-2/h6-10,15H,4-5H2,1-3H3
InChIKey VIOUZCLLUPKHSM-UHFFFAOYSA-N
Mol Weight 349.34 g/mol
Molecular Formula C17H19NO7
Exact Mass 349.116152 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 Hp02t3Wa7Zl
Name Diethyl 1,3-Dihydro-3-methyl-8-nitro-2-benzoxepine-1,4-dicarboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO7
InChI InChI=1S/C17H19NO7/c1-4-23-16(19)13-8-11-6-7-12(18(21)22)9-14(11)15(25-10(13)3)17(20)24-5-2/h6-10,15H,4-5H2,1-3H3
InChIKey VIOUZCLLUPKHSM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200004
Molecular Weight 349.339 g/mol
SMILES C1(OC(c2c(C=C1C(=O)OCC)ccc(c2)[N+](=O)[O-])C(=O)OCC)C
SPLASH splash10-0fb9-0290000000-2857359caee62fa7d6a6
Source of Spectrum H-95-1423-15m_13
Synonyms Diethyl 3-methyl-8-nitro-1,3-dihydrobenzo[c]oxepine-1,4-dicarboxylate
Wiley ID 1784403