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mass spectrometry (MS)

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

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C76H78N2S2/c1-73(2,3)57-25-37-63(38-26-57)77(64-39-27-58(28-40-64)74(4,5)6)61-33-21-55(22-34-61)69-45-47-71(79-69)67-49-51-13-17-53(67)19-15-52-14-18-54(20-16-51)68(50-52)72-48-46-70(80-72)56-23-35-62(36-24-56)78(65-41-29-59(30-42-65)75(7,8)9)66-43-31-60(32-44-66)76(10,11)12/h13-14,17-18,21-50H,15-16,19-20H2,1-12H3
SMILES	CC(c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)(C)C
InChI Key	VSMLPIPFGGPRRP-UHFFFAOYSA-N
Molecular Formula	C76H78N2S2
Exact Mass	1083.576 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	a5d353c3-1e4e-4061-828a-6360e9fa1e4f
Package id	10-14272-vsmlpipfggprrp-uhfffaoysa-n-chmo0000470
Resource type	HTML
State	active