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2C-P-M (HO-) isomer-2 2AC

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

2C-P-M (HO-) isomer-2 2AC
SpectraBase Compound ID CWDYrn1HvJ2
InChI InChI=1S/C17H25NO5/c1-11(23-13(3)20)8-15-10-16(21-4)14(9-17(15)22-5)6-7-18-12(2)19/h9-11H,6-8H2,1-5H3,(H,18,19)
InChIKey SQZBAULZYDGOPL-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C17H25NO5
Exact Mass 323.173273 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K6aoltPuQTc
Name 2C-p-m (ho-) Isomer-2 2ac P1053
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.173272904 u
Formula C17H25NO5
InChI InChI=1S/C17H25NO5/c1-11(23-13(3)20)8-15-10-16(21-4)14(9-17(15)22-5)6-7-18-12(2)19/h9-11H,6-8H2,1-5H3,(H,18,19)
InChIKey SQZBAULZYDGOPL-UHFFFAOYSA-N
Molecular Weight 323.389 g/mol
SMILES C=1(C=C(CCNC(=O)C)C(OC)=CC1CC(OC(=O)C)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963575