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1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2R)-1-amino-3,3,3-D3-2-propanol]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
SpectraBase Compound ID 1uSjMZbNlcK
InChI InChI=1S/C24H27NO6/c1-15(26)21(24-29-12-23(2,13-30-24)14-31-24)25-22(27)28-11-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-21,26H,11-14H2,1-2H3,(H,25,27)/t15-,21+,23-,24?/m1/s1/i1D3
InChIKey BMIDOYRXNADNKK-OJLMNJMKSA-N
Mol Weight 428.5 g/mol
Molecular Formula C24H242D3NO6
Exact Mass 428.202668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2g1trNmK5Kk
Name 1-[N-(9-Fluorenylmethyloxycarbonyl)-(1S,2R)-1-amino-3,3,3-D3-2-propanol]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24D3NO6
InChI InChI=1S/C24H27NO6/c1-15(26)21(24-29-12-23(2,13-30-24)14-31-24)25-22(27)28-11-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-21,26H,11-14H2,1-2H3,(H,25,27)/t15-,21+,23-,24?/m1/s1/i1D3
InChIKey BMIDOYRXNADNKK-OJLMNJMKSA-N
Molecular Weight 428.499 g/mol
SMILES N([C@@]([C@](O)(C([2D])([2D])[2D])[H])(C12OCC(CO2)(C)CO1)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-001i-0009100000-c223483c97624f016774
Source of Spectrum J-63-3641-17
Synonyms 9H-fluoren-9-ylmethyl N-[(1S,2R)-3,3,3-trideuterio-2-hydroxy-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)propyl]carbamate 9H-fluoren-9-ylmethyl N-[(1S,2R)-3,3,3-trideuterio-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxidanyl-propyl]carbamate
Wiley ID 1379658