| SpectraBase Spectrum ID |
DtR2EvbWXaR |
| Name |
1H-Cyclopropa[A]naphthalene-7-carbonitrile, decahydro-1,1,3A,7-tetramethyl-, (1A.alpha.,3A.alpha.,7.beta.,7A.beta.,7B.alpha.)-(+)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.198699809 u |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892686 |
![1H-Cyclopropa[a]naphthalene-7-carbonitrile, decahydro-1,1,3a,7-tetramethyl-, (1a.alpha.,3a.alpha.,7.beta.,7a.beta.,7b.alpha.)-(+)-](/api/spectrum/DtR2EvbWXaR/structure.png?h=300&w=458 "1H-Cyclopropa[a]naphthalene-7-carbonitrile, decahydro-1,1,3a,7-tetramethyl-, (1a.alpha.,3a.alpha.,7.beta.,7a.beta.,7b.alpha.)-(+)-")
