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(-)-(6aS,12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthraidine
SpectraBase Compound ID Eit0KzH8EfD
InChI InChI=1S/C17H17N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-8,16-18H,9-11H2/t16-,17-/m0/s1
InChIKey YROUKTGODHHOAM-IRXDYDNUSA-N
Mol Weight 235.33 g/mol
Molecular Formula C17H17N
Exact Mass 235.1361 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5nNmNo7ghi5
Name (-)-(6as,12BS)-5,6,6A,7,8,12B-hexahydrobenzo[A]phenanthraidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.136099551 u
Formula C17H17N
InChI InChI=1S/C17H17N/c1-3-7-14-12(5-1)9-10-16-17(14)15-8-4-2-6-13(15)11-18-16/h1-8,16-18H,9-11H2/t16-,17-/m0/s1
InChIKey YROUKTGODHHOAM-IRXDYDNUSA-N
Molecular Weight 235.330 g/mol
SMILES N1[C@]2(CCC=3C=CC=CC3[C@]2(C=2C=CC=CC2C1)[H])[H]
Spectrum/Structure Validation Score (Raman) 0.973245