SpectraBase Spectrum ID |
K3r9cnFWA1Z |
Name |
cis-N-Ethyl-4-aza-2,3,3A,4,5,9B-hexahydrobenz[E]indene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
201.151749616 u |
Formula |
C14H19N |
InChI |
InChI=1S/C14H19N/c1-2-15-10-11-6-3-4-7-12(11)13-8-5-9-14(13)15/h3-4,6-7,13-14H,2,5,8-10H2,1H3/t13-,14-/m0/s1 |
InChIKey |
LDFIXMYAOUHLNN-KBPBESRZSA-N |
Molecular Weight |
201.313 g/mol |
SMILES |
[C@@]12(N(CC3=C([C@@]2(CCC1)[H])C=CC=C3)CC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886184 |