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Amorolfine
SpectraBase Compound ID C36se6nyHhF
InChI InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+
InChIKey MQHLMHIZUIDKOO-AYHJJNSGSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIkEIcnigKG
Name Amorolfine
CAS Registry Number 78613-35-1
Classification Pharmaceutical drug, antimycotic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3/t16?,17-,18+
InChIKey MQHLMHIZUIDKOO-AYHJJNSGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.517 g/mol
Nominal Mass 317 u
Quality 846
SMILES C1(C(CC)(C)C)=CC=C(CC(CN2C[C@](O[C@](C2)(C)[H])(C)[H])C)C=C1
SPLASH splash10-004i-0900000000-7a4b17fc541a54451af5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Morpholine,(2R,6S)-2,6-Dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl] (2R,6S)-2,6-Dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
Technique DI/MS
Wiley ID DD2024_006317