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mass spectrometry (MS)

URL: https://www.chemotion-repository.net/inchikey/UJWZEMBRPRMIEA-UHFFFAOYSA-N/CHMO0000470

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C76H74N2S2/c1-73(2,3)53-25-33-65-61(43-53)62-44-54(74(4,5)6)26-34-66(62)77(65)57-29-21-51(22-30-57)69-37-39-71(79-69)59-41-47-13-17-49(59)19-15-48-14-18-50(20-16-47)60(42-48)72-40-38-70(80-72)52-23-31-58(32-24-52)78-67-35-27-55(75(7,8)9)45-63(67)64-46-56(76(10,11)12)28-36-68(64)78/h13-14,17-18,21-46H,15-16,19-20H2,1-12H3
SMILES	CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
InChI Key	UJWZEMBRPRMIEA-UHFFFAOYSA-N
Molecular Formula	C76H74N2S2
Exact Mass	1079.544 g/mol

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Additional Information

Field	Value
Data last updated	September 8, 2024
Metadata last updated	September 8, 2024
Created	September 8, 2024
Format	HTML
License	No License Provided
Id	b32b56c5-62e3-4515-8ec2-a64c851727f5
Package id	10-14272-ujwzembrprmiea-uhfffaoysa-n-chmo0000470
Resource type	HTML
State	active