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(1'S,2"R,5'R,8'S)-8,8'-Bi{2'-(1"-Hydroxybutan-2"-yl)-3',7'-dioxa-2'-azabicyclo[3.3.0]octane}
SpectraBase Compound ID C3G9zdlaIb3
InChI InChI=1S/C18H32N2O6/c1-3-13(5-21)19-15-11(9-25-19)7-23-17(15)18-16-12(8-24-18)10-26-20(16)14(4-2)6-22/h11-18,21-22H,3-10H2,1-2H3/t11-,12?,13-,14?,15+,16?,17+,18?/m1/s1
InChIKey IYFJHHZCHWQKNN-IXVPMCEESA-N
Mol Weight 372.5 g/mol
Molecular Formula C18H32N2O6
Exact Mass 372.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnnA69a8RZ9
Name (1'S,2"R,5'R,8'S)-8,8'-Bi{2'-(1"-Hydroxybutan-2"-yl)-3',7'-dioxa-2'-azabicyclo[3.3.0]octane}
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32N2O6
InChI InChI=1S/C18H32N2O6/c1-3-13(5-21)19-15-11(9-25-19)7-23-17(15)18-16-12(8-24-18)10-26-20(16)14(4-2)6-22/h11-18,21-22H,3-10H2,1-2H3/t11-,12?,13-,14?,15+,16?,17+,18?/m1/s1
InChIKey IYFJHHZCHWQKNN-IXVPMCEESA-N
Molecular Weight 372.462 g/mol
SMILES OCC(N1C2C([C@@]3([C@]4(N([C@@](CO)(CC)[H])OC[C@]4(CO3)[H])[H])[H])OCC2CO1)CC
SPLASH splash10-0006-0009000000-ed19901f276314247b80
Source of Spectrum KC-0-3722-8
Synonyms (1'S,2''R,5'R,8'S)-8,8'-Bi{2'-(1''-Hydroxybutan-2''-yl)-3',7'-dioxa-2'-azabicyclo[3.3.0]octane} (2R)-2-[(3aR,6S,6aS)-6-[1-(1-hydroxybutan-2-yl)-hexahydrofuro[3,4-c][1,2]oxazol-6-yl]-hexahydrofuro[3,4-c][1,2]oxazol-1-yl]butan-1-ol
Wiley ID 826949