Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C107H121N9/c1-98(2,3)61-31-41-81-71(51-61)72-52-62(99(4,5)6)32-42-82(72)112(81)92-91(97-108-110-111-109-97)93(113-83-43-33-63(100(7,8)9)53-73(83)74-54-64(101(10,11)12)34-44-84(74)113)95(115-87-47-37-67(104(19,20)21)57-77(87)78-58-68(105(22,23)24)38-48-88(78)115)96(116-89-49-39-69(106(25,26)27)59-79(89)80-60-70(107(28,29)30)40-50-90(80)116)94(92)114-85-45-35-65(102(13,14)15)55-75(85)76-56-66(103(16,17)18)36-46-86(76)114/h31-60H,1-30H3,(H,108,109,110,111)
SMILES	CC(c1ccc2c(c1)c1cc(ccc1n2c1c(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)c1nn[nH]n1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
InChI Key	ODWHLKFAWRSOGN-UHFFFAOYSA-N
Molecular Formula	C107H121N9
Exact Mass	1533.166 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/ODWHLKFAWRSOGN-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ODWHLKFAWRSOGN-UHFFFAOYSA-N/CHMO0000470
Version
Author	Céline Leonhardt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:20:50.788001
MetadataModified	2024-09-08T03:20:50.788007
MetadataPublished	2024-04-22

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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