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rel-Trimethyl(((1R,2R)-2-(3-(4-nitrophenyl)prop-2-yn-1-yl)-1-(isopropenyl)-cyclohexyl)oxy)silane
SpectraBase Compound ID KdFi3pawFkd
InChI InChI=1S/C21H29NO3Si/c1-17(2)21(25-26(3,4)5)16-7-6-10-19(21)11-8-9-18-12-14-20(15-13-18)22(23)24/h12-15,19H,1,6-7,10-11,16H2,2-5H3/t19-,21+/m1/s1
InChIKey NGAJNDQLYCNCQB-CTNGQTDRSA-N
Mol Weight 371.55 g/mol
Molecular Formula C21H29NO3Si
Exact Mass 371.19167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cIFnpTkyar
Name rel-Trimethyl(((1R,2R)-2-(3-(4-nitrophenyl)prop-2-yn-1-yl)-1-(isopropenyl)-cyclohexyl)oxy)silane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.191670330 u
Formula C21H29NO3Si
InChI InChI=1S/C21H29NO3Si/c1-17(2)21(25-26(3,4)5)16-7-6-10-19(21)11-8-9-18-12-14-20(15-13-18)22(23)24/h12-15,19H,1,6-7,10-11,16H2,2-5H3/t19-,21+/m1/s1
InChIKey NGAJNDQLYCNCQB-CTNGQTDRSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302751p
Molecular Weight 371.552 g/mol
Quality 176
Reported Formula C21H29O3NSi
SMILES C1C[C@@]([C@](CC1)(CC#CC1=CC=C(C=C1)[N+]([O-])=O)[H])(C(C)=C)O[Si](C)(C)C
SPLASH splash10-00di-3009000000-0df6ac4007ddc7a7324c
Source of Spectrum JOC-78-2783-3d (DOI: 10.1021/jo302751p)
Thin-Layer Chromatography 0.68 (pentanes/Et2O, 95:5)
Wiley ID 1912386