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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-hexyl]carbamate
SpectraBase Compound ID B1lOggEMDyl
InChI InChI=1S/C27H31NO6/c1-3-4-13-23(29)24(27-32-15-26(2,16-33-27)17-34-27)28-25(30)31-14-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,22,24H,3-4,13-17H2,1-2H3,(H,28,30)/t24-,26?,27?/m0/s1
InChIKey TWSRCMQAMMEVDX-NNTRXQOJSA-N
Mol Weight 465.55 g/mol
Molecular Formula C27H31NO6
Exact Mass 465.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mpTMjVzAMl
Name 9H-fluoren-9-ylmethyl N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxidanylidene-hexyl]carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO6
InChI InChI=1S/C27H31NO6/c1-3-4-13-23(29)24(27-32-15-26(2,16-33-27)17-34-27)28-25(30)31-14-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,22,24H,3-4,13-17H2,1-2H3,(H,28,30)/t24-,26?,27?/m0/s1
InChIKey TWSRCMQAMMEVDX-NNTRXQOJSA-N
Molecular Weight 465.546 g/mol
SMILES N([C@](C12OCC(CO2)(C)CO1)(C(=O)CCCC)[H])C(OCC1c2c(cccc2)-c2c1cccc2)=O
SPLASH splash10-00lr-0007900000-59cc1e7c075bb4427313
Source of Spectrum J-63-3642-21
Synonyms 9H-fluoren-9-ylmethyl N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxo-hexyl]carbamate N-[(1S)-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-2-oxohexyl]carbamic acid 9H-fluoren-9-ylmethyl ester N-[(1S)-2-keto-1-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)hexyl]carbamic acid 9H-fluoren-9-ylmethyl ester
Wiley ID 1391751