SpectraBase Spectrum ID |
HI8b6EC5fvW |
Name |
4,9-Dimethyl-6-[[1'-(2''-oxacyclopropyl)ethyl]-perhydro-naphthalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.177630011 u |
Formula |
C15H24O2 |
InChI |
InChI=1S/C15H24O2/c1-13-6-4-10(14(2)9-16-14)8-11(13)15(3)12(17-15)5-7-13/h10-12H,4-9H2,1-3H3/t10-,11+,12+,13-,14?,15-/m0/s1 |
InChIKey |
HZEAFZAMCGIWAZ-PEGQXMFRSA-N |
Molecular Weight |
236.355 g/mol |
SMILES |
[C@@]12(O[C@@]2(CC[C@]2([C@]1(C[C@@](C1(OC1)C)(CC2)[H])[H])C)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948369 |