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(+-)-(6aS,8S)-5-Allyl-2-chloro-5,6,6a,7,8,10a-hexahydro-8,10a-epoxypyrimido[5,4-c]isoquinoline
SpectraBase Compound ID 4wWmPW8NAwt
InChI InChI=1S/C14H14ClN3O/c1-2-5-18-8-9-6-10-3-4-14(9,19-10)12-11(18)7-16-13(15)17-12/h2-4,7,9-10H,1,5-6,8H2/t9-,10+,14?/m0/s1
InChIKey NLUQVKVICPLBQA-ZMVZMBOQSA-N
Mol Weight 275.74 g/mol
Molecular Formula C14H14ClN3O
Exact Mass 275.08254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEZLLJoLxsu
Name (+-)-(6aS,8S)-5-Allyl-2-chloro-5,6,6a,7,8,10a-hexahydro-8,10a-epoxypyrimido[5,4-c]isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClN3O
InChI InChI=1S/C14H14ClN3O/c1-2-5-18-8-9-6-10-3-4-14(9,19-10)12-11(18)7-16-13(15)17-12/h2-4,7,9-10H,1,5-6,8H2/t9-,10+,14?/m0/s1
InChIKey NLUQVKVICPLBQA-ZMVZMBOQSA-N
Molecular Weight 275.739 g/mol
SMILES C123c4c(cnc(n4)Cl)N(C[C@@]1(C[C@](O2)(C=C3)[H])[H])CC=C
SPLASH splash10-004i-0090000000-7d49ca33f963ae8fedea
Source of Spectrum F-68-1881-13j
Wiley ID 1707855