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1H-Inden-1-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,3,3a,4,7,7a-hexahydro-, 4-nitrobenzoate, (1.alpha.,3.alpha.,3a.beta.,7a.beta.)-(.+-.)-
SpectraBase Compound ID FmDY8Ir88lM
InChI InChI=1S/C22H31NO5Si/c1-22(2,3)29(4,5)28-20-14-19(17-8-6-7-9-18(17)20)27-21(24)15-10-12-16(13-11-15)23(25)26/h6-7,10-13,17-20H,8-9,14H2,1-5H3/t17-,18+,19+,20-/m0/s1
InChIKey STDKHNTZJOVTLK-NMLBUPMWSA-N
Mol Weight 417.58 g/mol
Molecular Formula C22H31NO5Si
Exact Mass 417.19715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgFvHBHSoKD
Name 1H-Inden-1-ol, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,3,3a,4,7,7a-hexahydro-, 4-nitrobenzoate, (1.alpha.,3.alpha.,3a.beta.,7a.beta.)-(.+-.)-
CAS Registry Number 130096-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO5Si
InChI InChI=1S/C22H31NO5Si/c1-22(2,3)29(4,5)28-20-14-19(17-8-6-7-9-18(17)20)27-21(24)15-10-12-16(13-11-15)23(25)26/h6-7,10-13,17-20H,8-9,14H2,1-5H3/t17-,18+,19+,20-/m0/s1
InChIKey STDKHNTZJOVTLK-NMLBUPMWSA-N
Molecular Weight 417.577 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@@]2(C[C@](O[Si](C(C)(C)C)(C)C)([C@]3([C@@]2(CC=CC3)[H])[H])[H])[H])=O)cc1
SPLASH splash10-00xr-1791000000-f98c441c8bb3612885df
Source of Spectrum J-56-393-18
Synonyms (1R,3S,3aR,7aS)-3-{[tert-butyl(dimethyl)silyl]oxy}-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl 4-nitrobenzoate (1RS,3SR,3aRS,7aSR)-3-(tert-butyldimethylsiloxy)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl 4-nitrobenzoate
Wiley ID 1376833