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25E-Nbome ac P1320

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

25E-Nbome ac P1320
SpectraBase Compound ID 4dBkGwRUocT
InChI InChI=1S/C22H29NO4/c1-6-17-13-22(27-5)18(14-21(17)26-4)11-12-23(16(2)24)15-19-9-7-8-10-20(19)25-3/h7-10,13-14H,6,11-12,15H2,1-5H3
InChIKey IAWUTBSTLJHYDV-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D1iuezmeoOp
Name 25E-Nbome ac P1320
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.209658414 u
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-6-17-13-22(27-5)18(14-21(17)26-4)11-12-23(16(2)24)15-19-9-7-8-10-20(19)25-3/h7-10,13-14H,6,11-12,15H2,1-5H3
InChIKey IAWUTBSTLJHYDV-UHFFFAOYSA-N
Molecular Weight 371.477 g/mol
SMILES C=1(C=C(C(=CC1OC)CC)OC)CCN(CC=1C(=CC=CC1)OC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955373