![DL-Valine, N-[[[(4-chlorophenyl)methyl]thio]carbonyl]-, methyl ester](/api/spectrum/98oE2xlSCNe/structure.png?h=300&w=458 "DL-Valine, N-[[[(4-chlorophenyl)methyl]thio]carbonyl]-, methyl ester")
| SpectraBase Compound ID | LiKytj0Cwh6 |
|---|---|
| InChI | InChI=1S/C14H18ClNO3S/c1-9(2)12(13(17)19-3)16-14(18)20-8-10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,16,18) |
| InChIKey | MTQSDYPIRPTFQI-UHFFFAOYSA-N |
| Mol Weight | 315.81 g/mol |
| Molecular Formula | C14H18ClNO3S |
| Exact Mass | 315.069592 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 98oE2xlSCNe |
|---|---|
| Name | DL-Valine, N-[[[(4-chlorophenyl)methyl]thio]carbonyl]-, methyl ester |
| CAS Registry Number | 66600-94-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H18ClNO3S |
| InChI | InChI=1S/C14H18ClNO3S/c1-9(2)12(13(17)19-3)16-14(18)20-8-10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,16,18) |
| InChIKey | MTQSDYPIRPTFQI-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Purity | slightly contaminated |
| Technique | Film |