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7-Phenylnaphtho[2,1-d][1,3]dioxole

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

7-Phenylnaphtho[2,1-d][1,3]dioxole
SpectraBase Compound ID AanWWA6sTN9
InChI InChI=1S/C17H12O2/c1-2-4-12(5-3-1)13-6-8-15-14(10-13)7-9-16-17(15)19-11-18-16/h1-10H,11H2
InChIKey HPHKPWRSOCRLMJ-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C17H12O2
Exact Mass 248.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8sWzC5ixnDQ
Name 7-Phenylnaphtho[2,1-D][1,3]dioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.083729624 u
Formula C17H12O2
InChI InChI=1S/C17H12O2/c1-2-4-12(5-3-1)13-6-8-15-14(10-13)7-9-16-17(15)19-11-18-16/h1-10H,11H2
InChIKey HPHKPWRSOCRLMJ-UHFFFAOYSA-N
Molecular Weight 248.281 g/mol
SMILES C12=C3C(C=C(C=C3)C=3C=CC=CC3)=CC=C2OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938901