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METHYSERGIDE

View entire compound with spectra: 1 FTIR, and 6 MS (GC)

METHYSERGIDE
SpectraBase Compound ID JagN5CJP5lC
InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)
InChIKey KPJZHOPZRAFDTN-UHFFFAOYSA-N
Mol Weight 353.47 g/mol
Molecular Formula C21H27N3O2
Exact Mass 353.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXwyAepIeys
Name METHYSERGIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H27N3O2
InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)
InChIKey KPJZHOPZRAFDTN-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 353.466 g/mol
SMILES N(C(CO)CC)C(C1CN(C)C2Cc3c[n](C)c4c3c(ccc4)C2=C1)=O
SPLASH splash10-000j-2791000000-80c8900c7f838047d018
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany