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4-[(2-Hydroxymethyl-1-pyrrolidinyl)carbonyl]-3-methyl-5-[bis(phenylthio)methyl]isoxazole
SpectraBase Compound ID 7mhqKKHilvz
InChI InChI=1S/C23H24N2O3S2/c1-16-20(22(27)25-14-8-9-17(25)15-26)21(28-24-16)23(29-18-10-4-2-5-11-18)30-19-12-6-3-7-13-19/h2-7,10-13,17,23,26H,8-9,14-15H2,1H3
InChIKey NXPXTEKJDCITFZ-UHFFFAOYSA-N
Mol Weight 440.58 g/mol
Molecular Formula C23H24N2O3S2
Exact Mass 440.122835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EL8oVFxXN10
Name 4-[(2-Hydroxymethyl-1-pyrrolidinyl)carbonyl]-3-methyl-5-[bis(phenylthio)methyl]isoxazole
Alternate Name(s) [1-({5-[bis(phenylsulfanyl)methyl]-3-methyl-4-isoxazolyl}carbonyl)-2-pyrrolidinyl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O3S2
InChI InChI=1S/C23H24N2O3S2/c1-16-20(22(27)25-14-8-9-17(25)15-26)21(28-24-16)23(29-18-10-4-2-5-11-18)30-19-12-6-3-7-13-19/h2-7,10-13,17,23,26H,8-9,14-15H2,1H3
InChIKey NXPXTEKJDCITFZ-UHFFFAOYSA-N
Molecular Weight 440.576 g/mol
SMILES OCC1N(C(c2c(noc2C(Sc2ccccc2)Sc2ccccc2)C)=O)CCC1
SPLASH splash10-01q9-0957000000-973e35d162bb3a89f934
Source of Spectrum SO-0-1077-3
Wiley ID 1541864