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[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(3R)-chloropiperidine
SpectraBase Compound ID KwNo8fSHzzr
InChI InChI=1S/C26H34ClNO2/c1-17-18(2)25-23(19(3)24(17)29-16-20-10-7-6-8-11-20)22(26(4,5)30-25)15-28-13-9-12-21(27)14-28/h6-8,10-11,21-22H,9,12-16H2,1-5H3/t21-,22?/m1/s1
InChIKey ODTIBEDTGQTMJC-ZMFCMNQTSA-N
Mol Weight 428.0 g/mol
Molecular Formula C26H34ClNO2
Exact Mass 427.227807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA7TlJqGrNp
Name [N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(3R)-chloropiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34ClNO2
InChI InChI=1S/C26H34ClNO2/c1-17-18(2)25-23(19(3)24(17)29-16-20-10-7-6-8-11-20)22(26(4,5)30-25)15-28-13-9-12-21(27)14-28/h6-8,10-11,21-22H,9,12-16H2,1-5H3/t21-,22?/m1/s1
InChIKey ODTIBEDTGQTMJC-ZMFCMNQTSA-N
Molecular Weight 428.016 g/mol
SMILES c12c(OC(C2CN2C[C@](Cl)(CCC2)[H])(C)C)c(C)c(c(c1C)OCc1ccccc1)C
SPLASH splash10-001i-4900000000-21da06f69657e1b0c53c
Source of Spectrum F2-42-1935-14
Synonyms (3R)-3-chloro-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-benzofuran-3-yl)methyl]piperidine (3R)-3-chloro-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl)methyl]piperidine (3R)-1-[(5-benzyloxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl]-3-chloro-piperidine (3R)-3-chloranyl-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl)methyl]piperidine
Wiley ID 1600112