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(3S/R,4R/S,1'S,3'R,4'R,6'R)-1-(4-Methixyphenyl)-3-[4'-bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-4-phenylazetidin-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3S/R,4R/S,1'S,3'R,4'R,6'R)-1-(4-Methixyphenyl)-3-[4'-bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-4-phenylazetidin-2-one
SpectraBase Compound ID KZ8zgpffzD0
InChI InChI=1S/C26H30BrNO3/c1-25(2)19-14-21(27)26(3,15-20(19)25)31-23-22(16-8-6-5-7-9-16)28(24(23)29)17-10-12-18(30-4)13-11-17/h5-13,19-23H,14-15H2,1-4H3/t19-,20+,21-,22?,23?,26-/m1/s1
InChIKey VCZWNISYPVMMMV-HASMXHIYSA-N
Mol Weight 484.43 g/mol
Molecular Formula C26H30BrNO3
Exact Mass 483.140907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvFFbqwYaVo
Name (3S/R,4R/S,1'S,3'R,4'R,6'R)-1-(4-Methixyphenyl)-3-[4'-bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-4-phenylazetidin-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30BrNO3
InChI InChI=1S/C26H30BrNO3/c1-25(2)19-14-21(27)26(3,15-20(19)25)31-23-22(16-8-6-5-7-9-16)28(24(23)29)17-10-12-18(30-4)13-11-17/h5-13,19-23H,14-15H2,1-4H3/t19-,20+,21-,22?,23?,26-/m1/s1
InChIKey VCZWNISYPVMMMV-HASMXHIYSA-N
Molecular Weight 484.434 g/mol
SMILES C1(N(C(C1O[C@@]1(C[C@@]2(C(C)(C)[C@@]2(C[C@]1(Br)[H])[H])[H])C)c1ccccc1)c1ccc(cc1)OC)=O
SPLASH splash10-0006-9740000000-3b0f384a2575c410f1ef
Source of Spectrum QC-11-1481-6
Synonyms (3S/R,4R/S,1'S,3'R,4'R,6'R)-1-(4-Methoxyphenyl)-3-[4'-bromo-3',7',7'-trimethylbicyclo[4.1.0]hept-3'-yloxy]-4-phenylazetidin-2-one
Wiley ID 859793