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N-Tosyllysergol
SpectraBase Compound ID 8JT2lwwaGQu
InChI InChI=1S/C22H22N2O3S/c1-14-5-7-17(8-6-14)28(26,27)24-12-15(13-25)9-19-18-3-2-4-20-22(18)16(11-23-20)10-21(19)24/h2-9,11,15,21,23,25H,10,12-13H2,1H3/t15?,21-/m1/s1
InChIKey GILVLNNZRWRBMI-MZVUKIKXSA-N
Mol Weight 394.49 g/mol
Molecular Formula C22H22N2O3S
Exact Mass 394.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUn2VYKgeQz
Name N-Tosyllysergol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3S
InChI InChI=1S/C22H22N2O3S/c1-14-5-7-17(8-6-14)28(26,27)24-12-15(13-25)9-19-18-3-2-4-20-22(18)16(11-23-20)10-21(19)24/h2-9,11,15,21,23,25H,10,12-13H2,1H3/t15?,21-/m1/s1
InChIKey GILVLNNZRWRBMI-MZVUKIKXSA-N
Molecular Weight 394.489 g/mol
SMILES [nH]1c2c3c(C[C@@]4(C(=CC(CO)CN4S(c4ccc(cc4)C)(=O)=O)c3ccc2)[H])c1
SPLASH splash10-000f-4195000000-5708cf567fbaee380780
Source of Spectrum H1-43-1510-25
Synonyms {6-[(4-methylphenyl)sulfonyl]-9,10-didehydroergolin-8-yl}methanol
Wiley ID 757881