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1-Benzothiepin-5-ol, 3-methoxy-4-phenyl-, acetate

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

1-Benzothiepin-5-ol, 3-methoxy-4-phenyl-, acetate
SpectraBase Compound ID DBMFQiRd7VE
InChI InChI=1S/C19H16O3S/c1-13(20)22-19-15-10-6-7-11-17(15)23-12-16(21-2)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey LGUDLAGTEWFHEY-UHFFFAOYSA-N
Mol Weight 324.39 g/mol
Molecular Formula C19H16O3S
Exact Mass 324.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LGmJKvTISEm
Name 1-Benzothiepin-5-ol, 3-methoxy-4-phenyl-, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.082015546 u
Formula C19H16O3S
InChI InChI=1S/C19H16O3S/c1-13(20)22-19-15-10-6-7-11-17(15)23-12-16(21-2)18(19)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKey LGUDLAGTEWFHEY-UHFFFAOYSA-N
Molecular Weight 324.394 g/mol
SMILES C1(=C(C(=CSC=2C1=CC=CC2)OC)C1=CC=CC=C1)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941988