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N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-isoleucine

View entire compound with spectra: 2 FTIR, and 1 Raman

N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-isoleucine
SpectraBase Compound ID 75AmV5awWDR
InChI InChI=1S/C16H19NO6S/c1-3-10(2)14(15(18)19)17-16(20)23-9-12-8-11-6-4-5-7-13(11)24(12,21)22/h4-8,10,14H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1
InChIKey IOTFSDWKSLUDSZ-HZMBPMFUSA-N
Mol Weight 353.39 g/mol
Molecular Formula C16H19NO6S
Exact Mass 353.093309 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9wiYL8TunVl
Name N-(Benzo[b]thiophenesulfone-2-methoxycarbonyl)-L-isoleucine
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L19738
Lot Number LF004231
CAS Registry Number 197245-22-0
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO6S
InChI InChI=1S/C16H19NO6S/c1-3-10(2)14(15(18)19)17-16(20)23-9-12-8-11-6-4-5-7-13(11)24(12,21)22/h4-8,10,14H,3,9H2,1-2H3,(H,17,20)(H,18,19)/t10-,14-/m0/s1
InChIKey IOTFSDWKSLUDSZ-HZMBPMFUSA-N
Instrument Name Bruker Tensor 27 FT-IR
Molecular Weight 353.389 g/mol
Purity 99%
Source of Spectrum Bio-Rad Laboratories, Inc.
Technique ATR-Neat (DuraSamplIR II)