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7-(2'-Hydroxy-3'-allylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione

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

7-(2'-Hydroxy-3'-allylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID G3VimxbcOW3
InChI InChI=1S/C24H29N3O5/c1-2-6-18-7-5-8-19(24(18)30)15-27-13-11-25-22(28)16-31-20-9-3-4-10-21(20)32-17-23(29)26-12-14-27/h2-5,7-10,30H,1,6,11-17H2,(H,25,28)(H,26,29)
InChIKey WYNHNUMMTWLERZ-UHFFFAOYSA-N
Mol Weight 439.51 g/mol
Molecular Formula C24H29N3O5
Exact Mass 439.210721 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F0cN9WRzkI6
Name 7-(2'-Hydroxy-3'-allylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.210721041 u
Formula C24H29N3O5
InChI InChI=1S/C24H29N3O5/c1-2-6-18-7-5-8-19(24(18)30)15-27-13-11-25-22(28)16-31-20-9-3-4-10-21(20)32-17-23(29)26-12-14-27/h2-5,7-10,30H,1,6,11-17H2,(H,25,28)(H,26,29)
InChIKey WYNHNUMMTWLERZ-UHFFFAOYSA-N
Molecular Weight 439.512 g/mol
SMILES C=1(C(=C(CC=C)C=CC1)O)CN1CCNC(=O)COC2=CC=CC=C2OCC(NCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945716