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(2R,3S)-1-chloro-3-(dibenzylamino)-5-methyl-hexan-2-ol
SpectraBase Compound ID EzPZR05d4kH
InChI InChI=1S/C21H28ClNO/c1-17(2)13-20(21(24)14-22)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/t20-,21-/m0/s1
InChIKey VPTZKLYFCBJELX-SFTDATJTSA-N
Mol Weight 345.91 g/mol
Molecular Formula C21H28ClNO
Exact Mass 345.185942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hc6IL0msgL
Name (2R,3S)-1-chloro-3-(dibenzylamino)-5-methyl-hexan-2-ol
Alternate Name(s) (2R,3S)-3-[bis(phenylmethyl)amino]-1-chloranyl-5-methyl-hexan-2-ol (2R,3S)-3-[bis(phenylmethyl)amino]-1-chloro-5-methyl-2-hexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28ClNO
InChI InChI=1S/C21H28ClNO/c1-17(2)13-20(21(24)14-22)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/t20-,21-/m0/s1
InChIKey VPTZKLYFCBJELX-SFTDATJTSA-N
Molecular Weight 345.914 g/mol
SMILES O[C@]([C@@](N(Cc1ccccc1)Cc1ccccc1)(CC(C)C)[H])(CCl)[H]
SPLASH splash10-0006-9020000000-8332bbb0236734b031d6
Source of Spectrum J-60-6699-4
Wiley ID 1338768