Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C81H80N16O4/c1-73(2)61-37-17-49(41-65(61)77(9,10)94(73)98)69-45-90(86-82-69)57-29-21-53(22-30-57)81(54-23-31-58(32-24-54)91-46-70(83-87-91)50-18-38-62-66(42-50)78(11,12)95(99)74(62,3)4,55-25-33-59(34-26-55)92-47-71(84-88-92)51-19-39-63-67(43-51)79(13,14)96(100)75(63,5)6)56-27-35-60(36-28-56)93-48-72(85-89-93)52-20-40-64-68(44-52)80(15,16)97(101)76(64,7)8/h17-48H,1-16H3
SMILES	[O]N1C(C)(C)c2c(C1(C)C)cc(cc2)c1nnn(c1)c1ccc(cc1)C(c1ccc(cc1)n1nnc(c1)c1ccc2c(c1)C(C)(C)N(C2(C)C)[O])(c1ccc(cc1)n1nnc(c1)c1ccc2c(c1)C(C)(C)N(C2(C)C)[O])c1ccc(cc1)n1nnc(c1)c1ccc2c(c1)C(C)(C)N(C2(C)C)[O]
InChI Key	YBFFHQQKFLLCFZ-UHFFFAOYSA-N
Molecular Formula	C81H80N16O4
Exact Mass	1341.607 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YBFFHQQKFLLCFZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YBFFHQQKFLLCFZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:54:06.239158
MetadataModified	2024-09-07T17:36:23.373309
MetadataPublished	2020-04-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146019170	PubChem
The data in this table is sourced from UniChem at EBI.