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2-[6-(1,5-dimethylhexyl)-5a-methyl-4,5,5a,6,7,8,8a,8b,9,10-decahydro-3bH-cyclopenta[5,6]naphtho[1,2-b]thien-1-yl]malononitrile

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2-[6-(1,5-dimethylhexyl)-5a-methyl-4,5,5a,6,7,8,8a,8b,9,10-decahydro-3bH-cyclopenta[5,6]naphtho[1,2-b]thien-1-yl]malononitrile
SpectraBase Compound ID BPxe1gBp0GJ
InChI InChI=1S/C27H38N2S/c1-17(2)6-5-7-18(3)24-10-11-25-20-8-9-21-23(19(14-28)15-29)16-30-26(21)22(20)12-13-27(24,25)4/h16-20,22,24-25H,5-13H2,1-4H3
InChIKey MKHNPPYVMVKVJL-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C27H38N2S
Exact Mass 422.27557 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID UJTd3d0tjk
Name 2-[6-(1,5-dimethylhexyl)-5a-methyl-4,5,5a,6,7,8,8a,8b,9,10-decahydro-3bH-cyclopenta[5,6]naphtho[1,2-b]thien-1-yl]malononitrile
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/C27H38N2S/c1-17(2)6-5-7-18(3)24-10-11-25-20-8-9-21-23(19(14-28)15-29)16-30-26(21)22(20)12-13-27(24,25)4/h16-20,22,24-25H,5-13H2,1-4H3
InChIKey MKHNPPYVMVKVJL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15810
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Source File Reference VendorID: 987/00002669; Labnumber: 987/00002669218832; VK_ID: VK-015815
Temperature 308 °C