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(S)-N-[2-[1-(Benzyloxy)butyl]-(R)-2-(4-Chloro-2-methylphenoxy)propionamide
SpectraBase Compound ID CjaiDE4y9d0
InChI InChI=1S/C21H26ClNO3/c1-4-8-20(25-14-17-9-6-5-7-10-17)23-21(24)16(3)26-19-12-11-18(22)13-15(19)2/h5-7,9-13,16,20H,4,8,14H2,1-3H3,(H,23,24)/t16-,20+/m1/s1
InChIKey SXSOTJKBWMGYJV-UZLBHIALSA-N
Mol Weight 375.9 g/mol
Molecular Formula C21H26ClNO3
Exact Mass 375.160121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84iijKzimXi
Name (S)-N-[2-[1-(Benzyloxy)butyl]-(R)-2-(4-Chloro-2-methylphenoxy)propionamide
Alternate Name(s) (2R)-N-[(1S)-1-(benzyloxy)butyl]-2-(4-chloro-2-methylphenoxy)propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26ClNO3
InChI InChI=1S/C21H26ClNO3/c1-4-8-20(25-14-17-9-6-5-7-10-17)23-21(24)16(3)26-19-12-11-18(22)13-15(19)2/h5-7,9-13,16,20H,4,8,14H2,1-3H3,(H,23,24)/t16-,20+/m1/s1
InChIKey SXSOTJKBWMGYJV-UZLBHIALSA-N
Molecular Weight 375.896 g/mol
SMILES N(C([C@](Oc1c(cc(cc1)Cl)C)(C)[H])=O)[C@@](OCc1ccccc1)(CCC)[H]
SPLASH splash10-052f-9000000000-303f815f8cb0dc818d27
Source of Spectrum J-61-7289-8
Wiley ID 1357210