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(1rs,3rs,8sr)-3-(2-nitrophenyl)sulfenyl-11-oxatricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile
SpectraBase Compound ID GuNs0k2KOCL
InChI InChI=1S/C20H13N5O3S/c21-8-19(9-22)7-12-14-5-6-15(28-14)17(12)18(20(19,10-23)11-24)29-16-4-2-1-3-13(16)25(26)27/h1-4,14-15,18H,5-7H2
InChIKey QYTAPZKLCKHXEE-UHFFFAOYSA-N
Mol Weight 403.42 g/mol
Molecular Formula C20H13N5O3S
Exact Mass 403.07391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVR2fxXZJbN
Name (1rs,3rs,8sr)-3-(2-nitrophenyl)sulfenyl-11-oxatricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile
Alternate Name(s) (1RS,3SR,8SR)-3-(2-niyrophenyl)sulfenyl-11-oxatricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitile 3-[(2-nitrophenyl)sulfanyl]-11-oxatricyclo[6.2.1.0(2,7)]undec-2(7)-ene-4,4,5,5-tetracarbonitrile
CAS Registry Number 105308-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N5O3S
InChI InChI=1S/C20H13N5O3S/c21-8-19(9-22)7-12-14-5-6-15(28-14)17(12)18(20(19,10-23)11-24)29-16-4-2-1-3-13(16)25(26)27/h1-4,14-15,18H,5-7H2
InChIKey QYTAPZKLCKHXEE-UHFFFAOYSA-N
Molecular Weight 403.416 g/mol
SMILES C1(C(C=2C3OC(C2CC1(C#N)C#N)CC3)Sc1c(N(=O)=O)cccc1)(C#N)C#N
SPLASH splash10-000i-0910000000-2be7aafadf786500c2cc
Source of Spectrum H-68-2209-24
Wiley ID 1370823