| SpectraBase Spectrum ID |
IPn5Aupu3GS |
| Name |
(1R,7S)-1,10,10-Trimethyl-3-phenyltricyclo[5.2.1.0(2,6)]deca-2,5-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.172150708 u |
| Formula |
C19H22 |
| InChI |
InChI=1S/C19H22/c1-18(2)16-11-12-19(18,3)17-14(9-10-15(16)17)13-7-5-4-6-8-13/h4-8,10,16H,9,11-12H2,1-3H3/t16-,19+/m1/s1 |
| InChIKey |
YUJUTKLCGCMCPQ-APWZRJJASA-N |
| Molecular Weight |
250.385 g/mol |
| SMILES |
C=12[C@]3(C(C)(C)[C@@](C2=CCC1C1=CC=CC=C1)(CC3)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935406 |
![(1R,7S)-1,10,10-Trimethyl-3-phenyltricyclo[5.2.1.0(2,6)]deca-2,5-diene](/api/spectrum/IPn5Aupu3GS/structure.png?h=300&w=458 "(1R,7S)-1,10,10-Trimethyl-3-phenyltricyclo[5.2.1.0(2,6)]deca-2,5-diene")
