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Coumachlor-M (HO-dihydro-) 2ME

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

Coumachlor-M (HO-dihydro-) 2ME
SpectraBase Compound ID zt2AI5AHwN
InChI InChI=1S/C21H21ClO5/c1-12(23)10-16(13-4-6-14(22)7-5-13)19-20(26-3)17-11-15(25-2)8-9-18(17)27-21(19)24/h4-9,11-12,16,23H,10H2,1-3H3
InChIKey YXJQODWWSUMJBH-UHFFFAOYSA-N
Mol Weight 388.85 g/mol
Molecular Formula C21H21ClO5
Exact Mass 388.107751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J5iXPODWcC2
Name Coumachlor-m (ho-dihydro-) 2me P1394
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.107751471 u
Formula C21H21ClO5
InChI InChI=1S/C21H21ClO5/c1-12(23)10-16(13-4-6-14(22)7-5-13)19-20(26-3)17-11-15(25-2)8-9-18(17)27-21(19)24/h4-9,11-12,16,23H,10H2,1-3H3
InChIKey YXJQODWWSUMJBH-UHFFFAOYSA-N
Molecular Weight 388.847 g/mol
SMILES C1(=C(C=2C=C(OC)C=CC2OC1=O)OC)C(C1=CC=C(C=C1)Cl)CC(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886131