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3-Acetyl-2,2,3-trimethylbenzo-[F]-indan-1-one

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

3-Acetyl-2,2,3-trimethylbenzo-[F]-indan-1-one
SpectraBase Compound ID F4KssHRWh2s
InChI InChI=1S/C18H18O2/c1-11(19)18(4)15-10-13-8-6-5-7-12(13)9-14(15)16(20)17(18,2)3/h5-10H,1-4H3
InChIKey ZTPYWBORRJTEKV-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LZNDxa78OH5
Name 3-Acetyl-2,2,3-trimethylbenzo-[F]-indan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-11(19)18(4)15-10-13-8-6-5-7-12(13)9-14(15)16(20)17(18,2)3/h5-10H,1-4H3
InChIKey ZTPYWBORRJTEKV-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES C1(=O)C(C(C2=CC=3C=CC=CC3C=C12)(C(=O)C)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847484