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((3as,7as)-7A-Phenyl-octahydro-indol-1-yl)-acetic acid ethyl ester
SpectraBase Compound ID F7kHFc5karl
InChI InChI=1S/C18H25NO2/c1-2-21-17(20)14-19-13-11-16-10-6-7-12-18(16,19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3/t16-,18+/m0/s1
InChIKey XUJRZJMOWMDZJJ-FUHWJXTLSA-N
Mol Weight 287.4 g/mol
Molecular Formula C18H25NO2
Exact Mass 287.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4uWRV95jEkm
Name ((3as,7as)-7A-Phenyl-octahydro-indol-1-yl)-acetic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.188529047 u
Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-2-21-17(20)14-19-13-11-16-10-6-7-12-18(16,19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3/t16-,18+/m0/s1
InChIKey XUJRZJMOWMDZJJ-FUHWJXTLSA-N
SMILES [C@@]12(N(CC[C@@]2(CCCC1)[H])CC(=O)OCC)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895926