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1H-Isoindol-1-one, 2,3,3a,4,7,7a-hexahydro-7-(hydroxymethyl)-4,5-dimethyl-3-(phenylmethyl)-

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

1H-Isoindol-1-one, 2,3,3a,4,7,7a-hexahydro-7-(hydroxymethyl)-4,5-dimethyl-3-(phenylmethyl)-
SpectraBase Compound ID IoOnFF7OkUP
InChI InChI=1S/C18H23NO2/c1-11-8-14(10-20)17-16(12(11)2)15(19-18(17)21)9-13-6-4-3-5-7-13/h3-8,12,14-17,20H,9-10H2,1-2H3,(H,19,21)
InChIKey RLKUERWPNALKJW-UHFFFAOYSA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGq5owN3f56
Name 1H-Isoindol-1-one, 2,3,3A,4,7,7A-hexahydro-7-(hydroxymethyl)-4,5-dimethyl-3-(phenylmethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.172878983 u
Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-11-8-14(10-20)17-16(12(11)2)15(19-18(17)21)9-13-6-4-3-5-7-13/h3-8,12,14-17,20H,9-10H2,1-2H3,(H,19,21)
InChIKey RLKUERWPNALKJW-UHFFFAOYSA-N
SMILES C1(NC(CC=2C=CC=CC2)C2C1C(C=C(C)C2C)CO)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937195