SpectraBase Spectrum ID |
D4vbM5IJxa2 |
Name |
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide |
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/C22H29N5O3S/c1-15-21(27(29)30)16(2)26(25-15)14-20(28)24-22-18(13-23)17-11-9-7-5-3-4-6-8-10-12-19(17)31-22/h3-12,14H2,1-2H3,(H,24,28) |
InChIKey |
XIVTXNQMJZEHSY-UHFFFAOYSA-N |
NMR Offset |
15.3537 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_14934 |
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: UZI/1021516; UBI_ID: UBI-014937 |
Temperature |
308 °C |