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3-Isopentoxy-4-methoxy-2-oxiranylmethylbenzonitrile

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

3-Isopentoxy-4-methoxy-2-oxiranylmethylbenzonitrile
SpectraBase Compound ID Dr7mUcaFu1W
InChI InChI=1S/C16H21NO3/c1-11(2)6-7-19-16-14(8-13-10-20-13)12(9-17)4-5-15(16)18-3/h4-5,11,13H,6-8,10H2,1-3H3
InChIKey MQEJMEZEMKVGPV-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GDa3Aym7dys
Name 3-Isopentoxy-4-methoxy-2-oxiranylmethylbenzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-11(2)6-7-19-16-14(8-13-10-20-13)12(9-17)4-5-15(16)18-3/h4-5,11,13H,6-8,10H2,1-3H3
InChIKey MQEJMEZEMKVGPV-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES C=1(C(=C(OC)C=CC1C#N)OCCC(C)C)CC1OC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961185