Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C70H104N4O4/c1-49(75-71-63(5,6)41-21-42-64(71,7)8)53-25-33-57(34-26-53)61(58-35-27-54(28-36-58)50(2)76-72-65(9,10)43-22-44-66(72,11)12)62(59-37-29-55(30-38-59)51(3)77-73-67(13,14)45-23-46-68(73,15)16)60-39-31-56(32-40-60)52(4)78-74-69(17,18)47-24-48-70(74,19)20/h25-40,49-52H,21-24,41-48H2,1-20H3
SMILES	CC(c1ccc(cc1)/C(=C(\c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)/c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)/c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)ON1C(C)(C)CCCC1(C)C
InChI Key	QNGORWRAWGSVOI-UHFFFAOYSA-N
Molecular Formula	C70H104N4O4
Exact Mass	1065.599 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/QNGORWRAWGSVOI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QNGORWRAWGSVOI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:35:52.878447
MetadataModified	2024-09-07T18:33:07.386461
MetadataPublished	2020-08-26

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables