Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C52H38N4O16/c1-5-69-49(57)27-9-13-31(43(21-27)53(61)62)39-25-40(32-14-10-28(50(58)70-6-2)22-44(32)54(63)64)36-19-20-38-42(34-16-12-30(52(60)72-8-4)24-46(34)56(67)68)26-41(37-18-17-35(39)47(36)48(37)38)33-15-11-29(51(59)71-7-3)23-45(33)55(65)66/h9-26H,5-8H2,1-4H3
SMILES	CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])c1cc(c2c3c1ccc1c3c(cc2)c(cc1c1ccc(cc1[N+](=O)[O-])C(=O)OCC)c1ccc(cc1[N+](=O)[O-])C(=O)OCC)c1ccc(cc1[N+](=O)[O-])C(=O)OCC
InChI Key	DNIMTJFIIINLHD-UHFFFAOYSA-N
Exact Mass	974.875 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DNIMTJFIIINLHD-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/DNIMTJFIIINLHD-UHFFFAOYSA-N/CHMO0000595
Version
Author	Tobias Sengpiel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:04:59.022100
MetadataModified	2024-09-23T09:22:17.443046
MetadataPublished	2024-02-23

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : TSE-Py-m-NO2-ester_konz Date : 20230901 Start time : 3.13 h Instrument : spect Label : TSE-53 ID : 257046 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.