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ent-5-Methoxycarbonyl-6-hydroxy-3a,4,5,6-tetrahydro-1H,3H-1-azaphenalen-2-one
SpectraBase Compound ID 4qHJkqrfds2
InChI InChI=1S/C14H15NO4/c1-19-14(18)9-5-7-6-11(16)15-10-4-2-3-8(12(7)10)13(9)17/h2-4,7,9,13,17H,5-6H2,1H3,(H,15,16)/t7-,9-,13+/m1/s1
InChIKey ULZZRBAJUFIQMQ-JPVBRFOXSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Xs8H1MHtg
Name ent-5-Methoxycarbonyl-6-hydroxy-3a,4,5,6-tetrahydro-1H,3H-1-azaphenalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-19-14(18)9-5-7-6-11(16)15-10-4-2-3-8(12(7)10)13(9)17/h2-4,7,9,13,17H,5-6H2,1H3,(H,15,16)/t7-,9-,13+/m1/s1
InChIKey ULZZRBAJUFIQMQ-JPVBRFOXSA-N
Molecular Weight 261.277 g/mol
SMILES N1C(C[C@@]2(c3c1cccc3[C@@]([C@@](C2)(C(=O)OC)[H])(O)[H])[H])=O
SPLASH splash10-03gi-0970000000-823f039dd45321568bd0
Source of Spectrum QF-10-2187-11
Wiley ID 1559455