Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C56H49N4O10.Zn/c1-9-69-55(61)33-15-11-31(12-16-33)49-37-19-23-41(57-37)51(35-27-45(63-3)53(67-7)46(28-35)64-4)43-25-21-39(59-43)50(32-13-17-34(18-14-32)56(62)70-10-2)40-22-26-44(60-40)52(42-24-20-38(49)58-42)36-29-47(65-5)54(68-8)48(30-36)66-6;/h11-30H,9-10H2,1-8H3,(H-,57,58,59,60,61,62);/q-1;+2/p-1/b49-37-,49-38-,50-39-,50-40-,51-41-,51-43-,52-42-,52-44-;
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Zn]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccc(cc1)C(=O)OCC)/c1cc(OC)c(c(c1)OC)OC)/c1cc(OC)c(c(c1)OC)OC
InChI Key	ZHQGFWQUTNIASE-LITDJKPXSA-M
Molecular Formula	C56H49N4O10Zn+
Exact Mass	1002.381 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZHQGFWQUTNIASE-LITDJKPXSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZHQGFWQUTNIASE-LITDJKPXSA-M/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:44:57.620417
MetadataModified	2024-09-07T16:03:58.252346
MetadataPublished	2019-08-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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