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endo-Methyl (2RS,3RS,3aSR)-2-(3-benzyloxy-1,1-ethylenedioxy)propylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
SpectraBase Compound ID 2KIvZh90WO
InChI InChI=1S/C21H29NO6/c1-24-20(23)18-17-9-5-6-11-22(17)28-19(18)21(26-13-14-27-21)10-12-25-15-16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-15H2,1H3/t17-,18+,19+/m1/s1
InChIKey BZTXMCSQKVWYLW-QYZOEREBSA-N
Mol Weight 391.46 g/mol
Molecular Formula C21H29NO6
Exact Mass 391.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MWD58RUxeZ
Name endo-Methyl (2RS,3RS,3aSR)-2-(3-benzyloxy-1,1-ethylenedioxy)propylhexahydro-2H-isoxazolo[2,3-a]pyridine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO6
InChI InChI=1S/C21H29NO6/c1-24-20(23)18-17-9-5-6-11-22(17)28-19(18)21(26-13-14-27-21)10-12-25-15-16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-15H2,1H3/t17-,18+,19+/m1/s1
InChIKey BZTXMCSQKVWYLW-QYZOEREBSA-N
Molecular Weight 391.464 g/mol
SMILES [C@@]1([C@]([C@]2(CCCCN2O1)[H])(C(=O)OC)[H])(C1(OCCO1)CCOCc1ccccc1)[H]
SPLASH splash10-0006-9020000000-5ac865f4669675f7a8f9
Source of Spectrum KD-12-1753-15
Wiley ID 1634529