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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
SpectraBase Compound ID LY1xwYWkEdt
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
Mol Weight 443.57 g/mol
Molecular Formula C22H29N5O3S
Exact Mass 443.199111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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