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4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol

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

4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol
SpectraBase Compound ID H2u3BUA6lUQ
InChI InChI=1S/C16H16O3/c17-14-7-4-12(5-8-14)2-1-3-13-6-9-15-16(10-13)19-11-18-15/h4-10,17H,1-3,11H2
InChIKey CUJPSAGBFRSSQP-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 2Oc8Vy8m1ZU
Name 4-[3-(1,3-Benzodioxol-5-yl)propyl]phenol
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/c17-14-7-4-12(5-8-14)2-1-3-13-6-9-15-16(10-13)19-11-18-15/h4-10,17H,1-3,11H2
InChIKey CUJPSAGBFRSSQP-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES C=12C(OCO2)=CC=C(C1)CCCC=1C=CC(=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926625