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1-(2-Isopropyl-phenoxy)-3-morpholin-4-yl-propan-2-ol, acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(2-Isopropyl-phenoxy)-3-morpholin-4-yl-propan-2-ol, acetate
SpectraBase Compound ID 3aqmCzyk0Gm
InChI InChI=1S/C18H27NO4/c1-14(2)17-6-4-5-7-18(17)22-13-16(23-15(3)20)12-19-8-10-21-11-9-19/h4-7,14,16H,8-13H2,1-3H3
InChIKey KPUUYCILMMUGOJ-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dj1fgoifP5k
Name 1-(2-Isopropyl-phenoxy)-3-morpholin-4-yl-propan-2-ol, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-14(2)17-6-4-5-7-18(17)22-13-16(23-15(3)20)12-19-8-10-21-11-9-19/h4-7,14,16H,8-13H2,1-3H3
InChIKey KPUUYCILMMUGOJ-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C(OC1=C(C(C)C)C=CC=C1)C(CN1CCOCC1)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959299