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Warfarin-M (HO-) isomer-2 2ET @

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Warfarin-M (HO-) isomer-2 2ET @
SpectraBase Compound ID 5K5synCU3td
InChI InChI=1S/C23H24O5/c1-4-26-17-12-10-16(11-13-17)19(14-15(3)24)21-22(27-5-2)18-8-6-7-9-20(18)28-23(21)25/h6-13,19H,4-5,14H2,1-3H3
InChIKey MUUGPRZARCATAP-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C23H24O5
Exact Mass 380.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7pOWislioCe
Name Warfarin-m (ho-) isomer-2 2et @P1356
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.162373868 u
Formula C23H24O5
InChI InChI=1S/C23H24O5/c1-4-26-17-12-10-16(11-13-17)19(14-15(3)24)21-22(27-5-2)18-8-6-7-9-20(18)28-23(21)25/h6-13,19H,4-5,14H2,1-3H3
InChIKey MUUGPRZARCATAP-UHFFFAOYSA-N
Molecular Weight 380.440 g/mol
SMILES C1(=C(C2=C(C=CC=C2)OC1=O)OCC)C(C=1C=CC(=CC1)OCC)CC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913613