Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C52H42N4O10.Zn/c1-61-41-23-31(24-42(62-2)49(41)65-5)47-37-19-15-33(53-37)45(27-7-11-29(12-8-27)51(57)58)35-17-21-39(55-35)48(32-25-43(63-3)50(66-6)44(26-32)64-4)40-22-18-36(56-40)46(34-16-20-38(47)54-34)28-9-13-30(14-10-28)52(59)60;/h7-26H,1-6H3,(H4,53,54,55,56,57,58,59,60);/q;+2/p-2/b45-33-,45-35-,46-34-,46-36-,47-37-,47-38-,48-39-,48-40-;
SMILES	COc1cc(cc(c1OC)OC)/C/1=C/2\C=CC(=N2)/C(=c/2\n3[Zn]n4c1ccc4/C(=C\1/C=CC(=N1)/C(=c\3/cc2)/c1cc(OC)c(c(c1)OC)OC)/c1ccc(cc1)C(=O)O)/c1ccc(cc1)C(=O)O
InChI Key	AWGPUPYYXPMWAF-MDJPIYFQSA-L
Molecular Formula	C52H40N4O10Zn
Exact Mass	946.275 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/AWGPUPYYXPMWAF-MDJPIYFQSA-L/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AWGPUPYYXPMWAF-MDJPIYFQSA-L/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:45:13.222644
MetadataModified	2024-09-07T16:04:19.343401
MetadataPublished	2019-08-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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