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1-Allyl-2-methyl-3,4-dihydro-1H-isoquinoline

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Allyl-2-methyl-3,4-dihydro-1H-isoquinoline
SpectraBase Compound ID 3eA1O8LAjes
InChI InChI=1S/C13H17N/c1-3-6-13-12-8-5-4-7-11(12)9-10-14(13)2/h3-5,7-8,13H,1,6,9-10H2,2H3
InChIKey MRXBYLHWQYBLRW-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GhNksgUCZkd
Name 1-Allyl-2-methyl-3,4-dihydro-1H-isoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.136099551 u
Formula C13H17N
InChI InChI=1S/C13H17N/c1-3-6-13-12-8-5-4-7-11(12)9-10-14(13)2/h3-5,7-8,13H,1,6,9-10H2,2H3
InChIKey MRXBYLHWQYBLRW-UHFFFAOYSA-N
Molecular Weight 187.286 g/mol
SMILES C1(N(CCC2=CC=CC=C12)C)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908835