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2-Phenanthreneacetic acid, 1,2,3,9,10,10a-hexahydro-3-oxo-

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

2-Phenanthreneacetic acid, 1,2,3,9,10,10a-hexahydro-3-oxo-
SpectraBase Compound ID Gh5F4PVDbZ1
InChI InChI=1S/C16H16O3/c17-15-9-14-11(7-12(15)8-16(18)19)6-5-10-3-1-2-4-13(10)14/h1-4,9,11-12H,5-8H2,(H,18,19)
InChIKey OCMDVMBZPBSTNV-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bh348z6zZd1
Name 2-Phenanthreneacetic acid, 1,2,3,9,10,10A-hexahydro-3-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.109944372 u
Formula C16H16O3
InChI InChI=1S/C16H16O3/c17-15-9-14-11(7-12(15)8-16(18)19)6-5-10-3-1-2-4-13(10)14/h1-4,9,11-12H,5-8H2,(H,18,19)
InChIKey OCMDVMBZPBSTNV-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES C(O)(=O)CC1CC2CCC=3C(C2=CC1=O)=CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822909