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Trans-methyl (2S,3R)-2-benzamido-6-benzyloxy-3-hydroxyhexanoate

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Trans-methyl (2S,3R)-2-benzamido-6-benzyloxy-3-hydroxyhexanoate
SpectraBase Compound ID JNk589EyjVl
InChI InChI=1S/C21H25NO5/c1-26-21(25)19(22-20(24)17-11-6-3-7-12-17)18(23)13-8-14-27-15-16-9-4-2-5-10-16/h2-7,9-12,18-19,23H,8,13-15H2,1H3,(H,22,24)/t18-,19+/m1/s1
InChIKey GUAMAIGKERZUJR-MOPGFXCFSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6k3NsKijnZt
Name Trans-methyl (2S,3R)-2-benzamido-6-benzyloxy-3-hydroxyhexanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.173272904 u
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-26-21(25)19(22-20(24)17-11-6-3-7-12-17)18(23)13-8-14-27-15-16-9-4-2-5-10-16/h2-7,9-12,18-19,23H,8,13-15H2,1H3,(H,22,24)/t18-,19+/m1/s1
InChIKey GUAMAIGKERZUJR-MOPGFXCFSA-N
Molecular Weight 371.433 g/mol
SMILES [C@](NC(=O)C=1C=CC=CC1)(C(=O)OC)([C@](O)(CCCOCC1=CC=CC=C1)[H])[H]