Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C70H46N4O4/c1-3-77-69(75)47-19-15-45(16-20-47)65-53-31-35-57(71-53)67(51-29-25-43-13-11-39-7-5-9-41-23-27-49(51)63(43)61(39)41)59-37-33-55(73-59)66(46-17-21-48(22-18-46)70(76)78-4-2)56-34-38-60(74-56)68(58-36-32-54(65)72-58)52-30-26-44-14-12-40-8-6-10-42-24-28-50(52)64(44)62(40)42/h5-38,71,74H,3-4H2,1-2H3/b65-53-,65-54-,66-55-,66-56-,67-57-,67-59-,68-58-,68-60-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc4c5c1ccc1c5c(cc4)ccc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc2c3c1ccc1c3c(cc2)ccc1
InChI Key	TVEBQXAMVVZGLS-LLAQAHTDSA-N
Molecular Formula	C70H46N4O4
Exact Mass	1007.139 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/TVEBQXAMVVZGLS-LLAQAHTDSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/TVEBQXAMVVZGLS-LLAQAHTDSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:46:39.448779
MetadataModified	2024-09-07T18:46:41.926992
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables