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mass spectrometry (MS)

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

Dataset description:

dataset for mass spectrometry (MS)\n\n

Source: mass spectrometry (MS)

Chemical Info

molecular Image

InChI	InChI=1S/C68H58N2O8S2/c1-71-55-29-21-51(22-30-55)69(52-23-31-56(72-2)32-24-52)49-17-13-47(14-18-49)65-61-63(77-39-37-75-61)67(79-65)59-41-43-5-9-45(59)11-7-44-6-10-46(12-8-43)60(42-44)68-64-62(76-38-40-78-64)66(80-68)48-15-19-50(20-16-48)70(53-25-33-57(73-3)34-26-53)54-27-35-58(74-4)36-28-54/h5-6,9-10,13-36,41-42H,7-8,11-12,37-40H2,1-4H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1sc(c2c1OCCO2)c1cc2CCc3ccc(CCc1cc2)cc3c1sc(c2c1OCCO2)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
InChI Key	CSMOMSMROQLHBT-UHFFFAOYSA-N
Molecular Formula	C68H58N2O8S2
Exact Mass	1095.327 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	f94fdea1-ae55-4bb4-8b42-ccbae933faa6
Package id	10-14272-csmomsmroqlhbt-uhfffaoysa-n-chmo0000470
Resource type	HTML
State	active