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Fluvoxate artifact (dihydro-) P1416

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

Fluvoxate artifact (dihydro-) P1416
SpectraBase Compound ID 1s3Lox9r2HT
InChI InChI=1S/C24H27NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12,17,22H,3,6-7,13-16H2,1H3
InChIKey NZMVDIHGWVXXLL-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C24H27NO4
Exact Mass 393.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQ0bMqJddSR
Name Fluvoxate artifact (dihydro-) P1416
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.194008349 u
Formula C24H27NO4
InChI InChI=1S/C24H27NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12,17,22H,3,6-7,13-16H2,1H3
InChIKey NZMVDIHGWVXXLL-UHFFFAOYSA-N
Molecular Weight 393.483 g/mol
SMILES C1=2OC(C(C)C(C2C=CC=C1C(=O)OCCN1CCCCC1)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845069