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(3S,6R,8aR)-3-benzyl-6-(benzyloxymethyl)-8a-ethyl-6-methyltetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
SpectraBase Compound ID 8NHmbUQmKb2
InChI InChI=1S/C25H31NO3/c1-3-25-15-14-24(2,19-28-17-21-12-8-5-9-13-21)23(27)26(25)22(18-29-25)16-20-10-6-4-7-11-20/h4-13,22H,3,14-19H2,1-2H3/t22-,24+,25+/m0/s1
InChIKey KUKDTNRTBZDFKB-ICDZXHCJSA-N
Mol Weight 393.53 g/mol
Molecular Formula C25H31NO3
Exact Mass 393.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dr0UKhkEy
Name (3S,6R,8aR)-3-benzyl-6-(benzyloxymethyl)-8a-ethyl-6-methyltetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
Alternate Name(s) (3S,6R,8aR)-3-benzyl-6-((benzyloxy)methyl)-8a-ethyl-6-methyltetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO3
InChI InChI=1S/C25H31NO3/c1-3-25-15-14-24(2,19-28-17-21-12-8-5-9-13-21)23(27)26(25)22(18-29-25)16-20-10-6-4-7-11-20/h4-13,22H,3,14-19H2,1-2H3/t22-,24+,25+/m0/s1
InChIKey KUKDTNRTBZDFKB-ICDZXHCJSA-N
Literature Reference DOI 10.1002/cjoc.20020201148
Molecular Weight 393.527 g/mol
SMILES C[C@@]1(COCc2ccccc2)C(=O)N2[C@](CC1)(CC)OC[C@@]2(Cc1ccccc1)[H]
SPLASH splash10-01ox-4109000000-397ec2974368e75d6d62
Source of Spectrum CJC-20-1442-4
Wiley ID 1774838