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2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-methylbenzyl acetate

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

2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-methylbenzyl acetate
SpectraBase Compound ID 30ENxxLZMff
InChI InChI=1S/C18H18O4/c1-12-4-3-5-15(16(12)11-22-13(2)19)14-6-7-17-18(10-14)21-9-8-20-17/h3-7,10H,8-9,11H2,1-2H3
InChIKey BHGUGOFPQAANEH-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2INfvJDP2vK
Name 2-(2,3-Dihydrobenzo[B][1,4]dioxin-6-yl)-6-methylbenzyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-12-4-3-5-15(16(12)11-22-13(2)19)14-6-7-17-18(10-14)21-9-8-20-17/h3-7,10H,8-9,11H2,1-2H3
InChIKey BHGUGOFPQAANEH-UHFFFAOYSA-N
SMILES C1=C(C(=C(C=C1)C1=CC2=C(C=C1)OCCO2)COC(=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871709