1,4-Anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-2-[(4-fluorobenzyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-4-[(4-Fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference11528

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[[(4-fluorophenyl)methyl]amino]-;
NAT19-551069

Formula: C18H27FN2O3

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-2-[(4-fluorobenzyl)amino]-D-arabinitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1799
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2022 10:12:56 AM
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Identificators

InChI InChI=1S/C18H27FN2O3/c1-18(2,3)8-16(22)21-10-15-17(23)14(11-24-15)20-9-12-4-6-13(19)7-5-12/h4-7,14-15,17,20,23H,8-11H2,1-3H3,(H,21,22)/t14-,15-,17+/m1/s1
InChI Key PFHUUTPTHGAWCT-INMHGKMJSA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NCC2=CC=C(C=C2)F)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[[(4-fluorophenyl)methyl]amino]-;
NAT19-551069

In Other Databases

PubChem 75536520
ChemSpider 29858400