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(1R,2S,7S,8S)-3,12-DIOXA-TRICYCLO-[6.3.1.0]-DODECAN-11-YLIDENE-MALONO-NITRILE
SpectraBase Compound ID I2SBi5Poku7
InChI InChI=1S/C13H14N2O2/c14-6-8(7-15)9-3-4-11-10-2-1-5-16-12(10)13(9)17-11/h10-13H,1-5H2/t10-,11-,12-,13+/m0/s1
InChIKey KPSRENWAPKUDIX-ZDEQEGDKSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mIGwKZUruA
Name rel-(1R,2S,7S,8S)-3,12-Dioxatricyclo[6.3.1.0(2,7)]dodecan-11-ylidenemalononitrile
Alternate Name(s) 2-[(1R,2S,7S,8S)-3,12-dioxatricyclo[6.3.1.0(2,7)]dodec-11-ylidene]malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c14-6-8(7-15)9-3-4-11-10-2-1-5-16-12(10)13(9)17-11/h10-13H,1-5H2/t10-,11-,12-,13+/m0/s1
InChIKey KPSRENWAPKUDIX-ZDEQEGDKSA-N
Molecular Weight 230.267 g/mol
SMILES [C@]12(O[C@]([H])([C@]3([C@@]2(OCCC3)[H])[H])CCC1=C(C#N)C#N)[H]
SPLASH splash10-0012-4930000000-88dbebc85fa8d07d06c6
Source of Spectrum H1-51-2153-14
Wiley ID 817261