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1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-4-methyl-5-oxo-4-oxazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2R-trans)-
SpectraBase Compound ID GizoZKoRBmJ
InChI InChI=1S/C29H34N2O5/c1-27(2,3)24-31(23(32)19-13-9-8-10-14-19)29(7,25(33)35-24)17-20-18-30(26(34)36-28(4,5)6)22-16-12-11-15-21(20)22/h8-16,18,24H,17H2,1-7H3
InChIKey BVUAMMZTRSQMHZ-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C29H34N2O5
Exact Mass 490.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJCChn87Xbb
Name 1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-4-methyl-5-oxo-4-oxazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2R-trans)-
CAS Registry Number 116139-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O5
InChI InChI=1S/C29H34N2O5/c1-27(2,3)24-31(23(32)19-13-9-8-10-14-19)29(7,25(33)35-24)17-20-18-30(26(34)36-28(4,5)6)22-16-12-11-15-21(20)22/h8-16,18,24H,17H2,1-7H3
InChIKey BVUAMMZTRSQMHZ-UHFFFAOYSA-N
Molecular Weight 490.600 g/mol
SMILES CC(OC([n]1c2c(c(CC3(N(C(OC3=O)C(C)(C)C)C(=O)c3ccccc3)C)c1)cccc2)=O)(C)C
SPLASH splash10-0ab9-2960100000-5ea1ae121e8756a5bbbe
Source of Spectrum H-71-234-29
Synonyms tert-Butyl 3-[(3-benzoyl-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indole-1-carboxylate 3-[(3-benzoyl-2-tert-butyl-4-methyl-5-oxo-4-oxazolidinyl)methyl]-1-indolecarboxylic acid tert-butyl ester 3-[(3-benzoyl-2-tert-butyl-5-keto-4-methyl-oxazolidin-4-yl)methyl]indole-1-carboxylic acid tert-butyl ester tert-Butyl 3-[(3-benzoyl-2-tert-butyl-4-methyl-5-oxo-1,3-oxazolidin-4-yl)methyl]indole-1-carboxylate tert-Butyl 3-[(3-benzoyl-2-tert-butyl-4-methyl-5-oxo-oxazolidin-4-yl)methyl]indole-1-carboxylate tert-Butyl 3-[[2-tert-butyl-4-methyl-5-oxidanylidene-3-(phenylcarbonyl)-1,3-oxazolidin-4-yl]methyl]indole-1-carboxylate
Wiley ID 1397278