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rel-2-[(3aR,7aS)-Hexahydro-[d][1,3]-benzooxathiol-2-ylidene]propanedinitrile
SpectraBase Compound ID 1NHRoRYrybP
InChI InChI=1S/C10H10N2OS/c11-5-7(6-12)10-13-8-3-1-2-4-9(8)14-10/h8-9H,1-4H2/t8-,9+/m0/s1
InChIKey JBERGWAFSFCVPU-DTWKUNHWSA-N
Mol Weight 206.26 g/mol
Molecular Formula C10H10N2OS
Exact Mass 206.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ePUhHsQSs2
Name rel-2-[(3aR,7aS)-Hexahydro-[d][1,3]-benzooxathiol-2-ylidene]propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N2OS
InChI InChI=1S/C10H10N2OS/c11-5-7(6-12)10-13-8-3-1-2-4-9(8)14-10/h8-9H,1-4H2/t8-,9+/m0/s1
InChIKey JBERGWAFSFCVPU-DTWKUNHWSA-N
Literature Reference DOI 10.1002/hlca.201000231
Molecular Weight 206.263 g/mol
SMILES C(C(C#N)=C1O[C@@]2([C@](S1)(CCCC2)[H])[H])#N
SPLASH splash10-05gj-7920000000-752d1078d65ddcb9a0c2
Source of Spectrum H-94-642-7
Synonyms 2-((3aR,7aS)-hexahydrobenzo[d][1,3]oxathiol-2-ylidene)malononitrile
Wiley ID 1785979