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9H-fluoren-9-ylmethyl N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxidanylidene-butyl]carbamate
SpectraBase Compound ID BKtTeUH6MvP
InChI InChI=1S/C25H27NO6/c1-3-21(27)22(25-30-13-24(2,14-31-25)15-32-25)26-23(28)29-12-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20,22H,3,12-15H2,1-2H3,(H,26,28)/t22-,24?,25?/m0/s1
InChIKey VMBMNLIWYQMFKU-BSSNWTCHSA-N
Mol Weight 437.49 g/mol
Molecular Formula C25H27NO6
Exact Mass 437.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fz84oj7YFvQ
Name 9H-fluoren-9-ylmethyl N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxidanylidene-butyl]carbamate
Alternate Name(s) 9H-fluoren-9-ylmethyl N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxo-butyl]carbamate N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxobutyl]carbamic acid 9H-fluoren-9-ylmethyl ester N-[(1S)-2-keto-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)butyl]carbamic acid 9H-fluoren-9-ylmethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C25H27NO6
InChI InChI=1S/C25H27NO6/c1-3-21(27)22(25-30-13-24(2,14-31-25)15-32-25)26-23(28)29-12-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20,22H,3,12-15H2,1-2H3,(H,26,28)/t22-,24?,25?/m0/s1
InChIKey VMBMNLIWYQMFKU-BSSNWTCHSA-N
Molecular Weight 437.492 g/mol
SMILES N([C@](C12OCC(CO2)(C)CO1)(C(=O)CC)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-001r-0009600000-bb6a33371f9f5d038397
Source of Spectrum J-63-3641-19
Wiley ID 1383823