SpectraBase Compound ID | GuJAJa5NI0E |
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InChI | InChI=1S/C19H21N.ClH/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19;/h2-5,7-10,17-20H,6,11-12H2,1H3;1H/t17-,18+,19+;/m1./s1 InChI=1S/C19H21N.ClH/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19;/h2-5,7-10,17-20H,6,11-12H2,1H3;1H/t17-,18+,19+;/m0./s1 |
InChIKey | UEYKARKKCKMFOQ-WXLIBGKBSA-N |
Mol Weight | 299.84 g/mol |
Molecular Formula | C19H22ClN |
Exact Mass | 299.144077 g/mol |
SpectraBase Spectrum ID | 5Gw7Y1VOR4o |
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Name | Trans-4A,5,cis-4A,9B-2,3,4,4A,5,9B-hexahydro-5-o-tolyl-1H-indeno[1,2-B]pyridine, hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 299.144077412 u |
Formula | C19H22ClN |
InChI | InChI=1S/C19H21N.ClH/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-17(18)11-6-12-20-19;/h2-5,7-10,17-20H,6,11-12H2,1H3;1H/t17-,18+,19+;/m1./s1 |
InChIKey | UEYKARKKCKMFOQ-WXLIBGKBSA-N |
Molecular Weight | 299.845 g/mol |
SMILES | Cl.N1[C@]2(C=3C=CC=CC3[C@@]([C@]2(CCC1)[H])(C1=CC=CC=C1C)[H])[H] |
Spectrum/Structure Validation Score (Raman) | 0.926907 |