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6-(benzyloxy)-1-((t-butyloxy)carbonyl)-3-(hydroxymethyl)indoline, R-(-)-O-Acetylmandelic Ester
SpectraBase Compound ID 6Gfyh4EceFI
InChI InChI=1S/C31H33NO7/c1-20(33)24-12-8-9-13-26(24)28(34)29(35)38-19-22-17-32(30(36)39-31(2,3)4)27-16-23(14-15-25(22)27)37-18-21-10-6-5-7-11-21/h5-16,22,28,34H,17-19H2,1-4H3/t22?,28-/m1/s1
InChIKey SZMHQXODSUVECA-AALRHGRASA-N
Mol Weight 531.6 g/mol
Molecular Formula C31H33NO7
Exact Mass 531.225702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aCYC8eOh5a
Name 6-(benzyloxy)-1-((t-butyloxy)carbonyl)-3-(hydroxymethyl)indoline, R-(-)-O-Acetylmandelic Ester
CAS Registry Number 127943-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33NO7
InChI InChI=1S/C31H33NO7/c1-20(33)24-12-8-9-13-26(24)28(34)29(35)38-19-22-17-32(30(36)39-31(2,3)4)27-16-23(14-15-25(22)27)37-18-21-10-6-5-7-11-21/h5-16,22,28,34H,17-19H2,1-4H3/t22?,28-/m1/s1
InChIKey SZMHQXODSUVECA-AALRHGRASA-N
Molecular Weight 531.605 g/mol
SMILES O[C@](c1c(C(=O)C)cccc1)(C(OCC1CN(c2c1ccc(c2)OCc1ccccc1)C(OC(C)(C)C)=O)=O)[H]
SPLASH splash10-052f-9000000000-cdd789bffaa273cbcfa3
Source of Spectrum C-112-5237-18
Synonyms tert-Butyl 3-({[(2R)-2-(2-acetylphenyl)-2-hydroxyethanoyl]oxy}methyl)-6-(benzyloxy)-1-indolinecarboxylate
Wiley ID 1403480