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5-Phenylpyrrolo[2,1-d][1,5]-benzothiazepin-4-ol hexanoate
SpectraBase Compound ID HwaotBRWsPa
InChI InChI=1S/C24H23NO2S/c1-2-3-5-16-22(26)27-23-20-14-10-17-25(20)19-13-8-9-15-21(19)28-24(23)18-11-6-4-7-12-18/h4,6-15,17H,2-3,5,16H2,1H3
InChIKey SIMQICJOBGHLIZ-UHFFFAOYSA-N
Mol Weight 389.51 g/mol
Molecular Formula C24H23NO2S
Exact Mass 389.14495 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4nC3XigJAMF
Name 5-Phenylpyrrolo[2,1-d][1,5]benzothiazepin-4-ol hexanoate
Source of Sample Enzo Life Sciences
Catalog Number 550-112-M005
Lot Number L16986
CAS Registry Number 155909-06-1
Cell Type Capillary tube
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23NO2S
InChI InChI=1S/C24H23NO2S/c1-2-3-5-16-22(26)27-23-20-14-10-17-25(20)19-13-8-9-15-21(19)28-24(23)18-11-6-4-7-12-18/h4,6-15,17H,2-3,5,16H2,1H3
InChIKey SIMQICJOBGHLIZ-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 501 mW
Raman Laser Source Nd:YAG
SMILES c-12ccccc2S\C(=C/(c2[n]1ccc2)OC(CCCCC)=O)c1ccccc1
Scans Performed 3392
Source of Spectrum Forensic Spectral Research
Technique FT-Raman