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(1R,3S,4R,7S,8S,10S)-5-(((1R,3R,4R,7S,8R,10S)-6-oxo-5-azatetracyclo[6.3.1.1(3,10).0(4,7)]tridecan-5-yl)methyl)-5-azatetracyclo[6.3.1.1(3,10).0(4,7)]tridecan-6-one
SpectraBase Compound ID 5L3PPpA4j7s
InChI InChI=1S/C25H34N2O2/c28-24-20-16-3-12-1-13(4-16)8-18(7-12)22(20)26(24)11-27-23-19-9-14-2-15(10-19)6-17(5-14)21(23)25(27)29/h12-23H,1-11H2/t12-,13+,14-,15+,16-,17-,18+,19+,20-,21-,22+,23+/m0/s1
InChIKey UNPPVHRQGFEBJX-YRBDZLQKSA-N
Mol Weight 394.6 g/mol
Molecular Formula C25H34N2O2
Exact Mass 394.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HjzF71ToEp
Name (1R,3S,4R,7S,8S,10S)-5-(((1R,3R,4R,7S,8R,10S)-6-oxo-5-azatetracyclo[6.3.1.1(3,10).0(4,7)]tridecan-5-yl)methyl)-5-azatetracyclo[6.3.1.1(3,10).0(4,7)]tridecan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O2
InChI InChI=1S/C25H34N2O2/c28-24-20-16-3-12-1-13(4-16)8-18(7-12)22(20)26(24)11-27-23-19-9-14-2-15(10-19)6-17(5-14)21(23)25(27)29/h12-23H,1-11H2/t12-,13+,14-,15+,16-,17-,18+,19+,20-,21-,22+,23+/m0/s1
InChIKey UNPPVHRQGFEBJX-YRBDZLQKSA-N
Literature Reference DOI 10.1002/adsc.200303205
Molecular Weight 394.559 g/mol
SMILES C1[C@]2(C[C@]3([C@]4([H])[C@]([H])([C@@]1(C[C@@](C2)(C3)[H])[H])C(N4CN1[C@@]2([C@]3(C[C@@]4(C[C@@]([C@@]2(C1=O)[H])(C[C@@](C4)(C3)[H])[H])[H])[H])[H])=O)[H])[H]
SPLASH splash10-0f6t-0961000000-25a543ebc4954bf7aed1
Source of Spectrum ASC-346-571-12
Wiley ID 1767587