SpectraBase Spectrum ID |
ZRDPwA68JI |
Name |
(1S,7S,8ar)-1,8A-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,7,8,8A-hexahydronaphthalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
202.172150708 u |
Formula |
C15H22 |
InChI |
InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7-9,12-13H,1,5-6,10H2,2-4H3 |
InChIKey |
DQPQHEZYSQLQOQ-UHFFFAOYSA-N |
Molecular Weight |
202.341 g/mol |
SMILES |
C1(CCC=C2C1(CC(C=C2)C(=C)C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949405 |