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[(1s,2r,3s)-(3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yloxy)carbonylmethyl]triphenylphosphonium bromide

View entire compound with spectra: 1 MS (GC)

[(1s,2r,3s)-(3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yloxy)carbonylmethyl]triphenylphosphonium bromide
SpectraBase Compound ID 5u5rRKJnhER
InChI InChI=1S/C35H44O3P.BrH/c1-33(2,3)25-37-32-31(29-22-23-35(32,6)34(29,4)5)38-30(36)24-39(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28;/h7-21,29,31-32H,22-25H2,1-6H3;1H/q+1;/p-1/t29-,31-,32-,35?;/m1./s1
InChIKey VQFVCDWMCXRWGG-RKPYVQQVSA-M
Mol Weight 623.6 g/mol
Molecular Formula C35H44BrO3P
Exact Mass 622.221145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMIuDKYqvUn
Name [(1s,2r,3s)-(3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yloxy)carbonylmethyl]triphenylphosphonium bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H44BrO3P
InChI InChI=1S/C35H44O3P.BrH/c1-33(2,3)25-37-32-31(29-22-23-35(32,6)34(29,4)5)38-30(36)24-39(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28;/h7-21,29,31-32H,22-25H2,1-6H3;1H/q+1;/p-1/t29-,31-,32-,35?;/m1./s1
InChIKey VQFVCDWMCXRWGG-RKPYVQQVSA-M
Molecular Weight 623.612 g/mol
SMILES [Br-].C12(C([C@]([H])(CC2)[C@]([C@]1(OCC(C)(C)C)[H])(OC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O)[H])(C)C)C
SPLASH splash10-0fmi-7978000000-e1ccba8c9a34a6bceca5
Source of Spectrum H-68-2112-42
Synonyms (2-oxo-2-{[(1S,2R,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl]oxy}ethyl)(triphenyl)phosphonium bromide
Wiley ID 1411663