Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C77H120N4O4/c1-53(2)65(82-78-69(9,10)45-25-46-70(78,11)12)57-29-37-61(38-30-57)77(62-39-31-58(32-40-62)66(54(3)4)83-79-71(13,14)47-26-48-72(79,15)16,63-41-33-59(34-42-63)67(55(5)6)84-80-73(17,18)49-27-50-74(80,19)20)64-43-35-60(36-44-64)68(56(7)8)85-81-75(21,22)51-28-52-76(81,23)24/h29-44,53-56,65-68H,25-28,45-52H2,1-24H3
SMILES	CC(C(c1ccc(cc1)C(c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)(c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)c1ccc(cc1)C(C(C)C)ON1C(C)(C)CCCC1(C)C)ON1C(C)(C)CCCC1(C)C)C
InChI Key	WGLWXSQQPSYNFQ-UHFFFAOYSA-N
Molecular Formula	C77H120N4O4
Exact Mass	1165.801 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/WGLWXSQQPSYNFQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WGLWXSQQPSYNFQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:35:26.444936
MetadataModified	2024-09-07T18:32:45.772954
MetadataPublished	2020-08-26

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables