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2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 6-(hydroxyphenylmethyl)-7,9-dimethyl-, [1.alpha.,6.alpha.(R*)]-
SpectraBase Compound ID IqPR2gKQcal
InChI InChI=1S/C16H20N2O4/c1-17-14-13(20)18(2)16(15(17)21,9-6-10-22-14)12(19)11-7-4-3-5-8-11/h3-5,7-8,12,14,19H,6,9-10H2,1-2H3/t12?,14-,16+/m1/s1
InChIKey BFHPZKRLUUEEHF-TUJLOAKASA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUL69FGPxsq
Name 2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 6-(hydroxyphenylmethyl)-7,9-dimethyl-, [1.alpha.,6.alpha.(R*)]-
CAS Registry Number 85168-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-17-14-13(20)18(2)16(15(17)21,9-6-10-22-14)12(19)11-7-4-3-5-8-11/h3-5,7-8,12,14,19H,6,9-10H2,1-2H3/t12?,14-,16+/m1/s1
InChIKey BFHPZKRLUUEEHF-TUJLOAKASA-N
Molecular Weight 304.346 g/mol
SMILES OC([C@]12C(N(C)[C@](C(N2C)=O)([H])OCCC1)=O)c1ccccc1
SPLASH splash10-0002-0900000000-d3960c8d008124435e1b
Source of Spectrum C-105-3218-0
Synonyms (1S,6S)-6-[hydroxy(phenyl)methyl]-7,9-dimethyl-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione 8,10-Dimethyl-8,10-diaza-6-(hydroxybenzyl)-2-oxabicyclo[4.2.2]decane-7,9-dione
Wiley ID 1306334