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12-Azapentacyclo[6.5.1.1(3,10).0(1,10).0(3,8)]pentadecane (2R,3R)-Tartrate
SpectraBase Compound ID IopJmqS9JM1
InChI InChI=1S/C14H21N.C4H6O6/c1-2-4-12-7-13-5-11(12,3-1)6-14(13,8-12)10-15-9-13;5-1(3(7)8)2(6)4(9)10/h15H,1-10H2;1-2,5-6H,(H,7,8)(H,9,10)/t11?,12?,13-,14+;1-,2-/m.1/s1
InChIKey FEBWRMQPOBZHBT-SBXILKGOSA-N
Mol Weight 353.41 g/mol
Molecular Formula C18H27NO6
Exact Mass 353.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyPDaqBuzN8
Name 12-Azapentacyclo[6.5.1.1(3,10).0(1,10).0(3,8)]pentadecane (2R,3R)-Tartrate
Appearance Pale-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO6
InChI InChI=1S/C14H21N.C4H6O6/c1-2-4-12-7-13-5-11(12,3-1)6-14(13,8-12)10-15-9-13;5-1(3(7)8)2(6)4(9)10/h15H,1-10H2;1-2,5-6H,(H,7,8)(H,9,10)/t11?,12?,13-,14+;1-,2-/m.1/s1
InChIKey FEBWRMQPOBZHBT-SBXILKGOSA-N
Instrument Name Agilent 5975 GC-122-5532 DB-5MS
Ionization Type EI
Literature Reference DOI 10.1021/jm401340p
Molecular Weight 353.415 g/mol
SMILES N1C[C@]23[C@]4(C1)CC1(C(C3)(CCCC1)C4)C2.OC([C@@]([C@](C(O)=O)(O)[H])(O)[H])=O
SPLASH splash10-0ffd-3910000000-8a77a7d57d220635bfab
Source of Spectrum AF-56-9272-14d??(2R,3R)-tartrate
Wiley ID 1865438