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(2S,4R)-2-[[1-(3-Benzyloxy)prop-1-ynyl)hex-4-enyl](4-methoxybenzyl)amino]propanol
SpectraBase Compound ID lDKnLoOfWI
InChI InChI=1S/C27H35NO3/c1-4-5-7-13-26(14-10-19-31-22-25-11-8-6-9-12-25)28(23(2)21-29)20-24-15-17-27(30-3)18-16-24/h4-6,8-9,11-12,15-18,23,26,29H,7,13,19-22H2,1-3H3/b5-4+/t23-,26+/m0/s1
InChIKey DHLJEYKOAPYOIE-BUPWWPAWSA-N
Mol Weight 421.6 g/mol
Molecular Formula C27H35NO3
Exact Mass 421.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqS9JEZFVMN
Name (2S,4R)-2-[[1-(3-Benzyloxy)prop-1-ynyl)hex-4-enyl](4-methoxybenzyl)amino]propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO3
InChI InChI=1S/C27H35NO3/c1-4-5-7-13-26(14-10-19-31-22-25-11-8-6-9-12-25)28(23(2)21-29)20-24-15-17-27(30-3)18-16-24/h4-6,8-9,11-12,15-18,23,26,29H,7,13,19-22H2,1-3H3/b5-4+/t23-,26+/m0/s1
InChIKey DHLJEYKOAPYOIE-BUPWWPAWSA-N
Molecular Weight 421.581 g/mol
SMILES OC[C@@](N(Cc1ccc(cc1)OC)[C@@](C#CCOCc1ccccc1)(CC\C=C\C)[H])(C)[H]
SPLASH splash10-006x-2709000000-a1e75cdd76c1a14fc0fc
Source of Spectrum J-73-3092-13
Wiley ID 1668212