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1H-Cyclopropa[a]naphthalene-7-carbonitrile, decahydro-1,1,3a,7-tetramethyl-, (1a.alpha.,3a.alpha.,7.beta.,7a.beta.,7b.alpha.)-(+)-
SpectraBase Compound ID CiCG79ZbIos
InChI InChI=1S/C16H25N/c1-14(2)11-6-9-15(3)7-5-8-16(4,10-17)13(15)12(11)14/h11-13H,5-9H2,1-4H3/t11-,12-,13+,15+,16-/m1/s1
InChIKey NCQVGJVXDZHWMW-XYTFPVCRSA-N
Mol Weight 231.38 g/mol
Molecular Formula C16H25N
Exact Mass 231.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfoNcmXn385
Name 1H-Cyclopropa[a]naphthalene-7-carbonitrile, decahydro-1,1,3a,7-tetramethyl-, (1a.alpha.,3a.alpha.,7.beta.,7a.beta.,7b.alpha.)-(+)-
CAS Registry Number 83631-18-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N
InChI InChI=1S/C16H25N/c1-14(2)11-6-9-15(3)7-5-8-16(4,10-17)13(15)12(11)14/h11-13H,5-9H2,1-4H3/t11-,12-,13+,15+,16-/m1/s1
InChIKey NCQVGJVXDZHWMW-XYTFPVCRSA-N
Molecular Weight 231.383 g/mol
SMILES C1([C@]2([C@]3([C@](CCC[C@@]3(C#N)C)(C)CC[C@@]12[H])[H])[H])(C)C
SPLASH splash10-001i-9200000000-28dbdc0e6c1d77f7d568
Source of Spectrum F-38-1872-0
Synonyms (1aR,3aS,7S,7aS,7bR)-1,1,3a,7-tetramethyldecahydro-1H-cyclopropa[a]naphthalene-7-carbonitrile Isonitrile metabolite of caDLina luteomarginata
Wiley ID 1233062