SpectraBase Spectrum ID |
C3BwRKiBT0R |
Name |
N-(2-carboxyethyl)-N-({[2-(dodecylamino)-2-oxoethyl]sulfanyl}carbothioyl)-beta-alanine |
Author |
A.V.Yarkov, IPAC, Russia |
Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
InChI |
InChI=1S/C21H38N2O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-22-18(24)17-30-21(29)23(15-12-19(25)26)16-13-20(27)28/h2-17H2,1H3,(H,22,24)(H,25,26)(H,27,28) |
InChIKey |
XQHZGWNIQWQHHS-UHFFFAOYSA-N |
NMR Offset |
15.328 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI-VK_18310_16676 |
Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
Sample State |
soluted |
Solvent |
DMSO-d6 |
Source File Reference |
VendorID: 987/00004216; Labnumber: 987/00004216218851; VK_ID: VK-016681 |
Temperature |
318 °C |