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LFMQZLXBQLJUQV-UHFFFAOYSA-N
SpectraBase Compound ID 2aaeZdzHyQ
InChI InChI=1S/C20H21NO3/c1-19(2)16(14-10-6-4-7-11-14)17(20(3)21(19)24-20)23-18(22)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3
InChIKey LFMQZLXBQLJUQV-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1K7K4eDghjN
Name 6-Oxa-1-azabicyclo[3.1.0]hexan-4-ol, 2,2,5-trimethyl-3-phenyl-, benzoate (ester), (1.alpha.,3.beta.,4.beta.,5.alpha.)-
CAS Registry Number 124994-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-19(2)16(14-10-6-4-7-11-14)17(20(3)21(19)24-20)23-18(22)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3
InChIKey LFMQZLXBQLJUQV-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES C12(N(C(C)(C)C(C2OC(=O)c2ccccc2)c2ccccc2)O1)C
SPLASH splash10-0zg0-0890000000-10c3c26aa3ace9d5619d
Source of Spectrum B-42-706-8
Synonyms (2,2,5-trimethyl-3-phenyl-6-oxa-1-azabicyclo[3.1.0]hexan-4-yl) benzoate 2,2,5-trimethyl-3-phenyl-6-oxa-1-azabicyclo[3.1.0]hex-4-yl benzoate 4-Benzoyloxy-3-phenyl-2,2,5-trimethyl-6-oxa-1-azabicyclo[3.1.0]hexane benzoic acid (2,2,5-trimethyl-3-phenyl-6-oxa-1-azabicyclo[3.1.0]hexan-4-yl) ester (1,4,4-trimethyl-3-phenyl-6-oxa-5-azabicyclo[3.1.0]hexan-2-yl) benzoate
Wiley ID 1322585