SpectraBase Spectrum ID |
AReOhnlwtiZ |
Name |
1-Ethyl-cis-o-menth-4-yl methyl ketone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.198365456 u |
Formula |
C14H26O |
InChI |
InChI=1S/C14H26O/c1-6-14(5)8-7-12(11(4)15)9-13(14)10(2)3/h10,12-13H,6-9H2,1-5H3/t12-,13+,14-/m1/s1 |
InChIKey |
JYKCKYVVOIYNRL-HZSPNIEDSA-N |
Molecular Weight |
210.361 g/mol |
SMILES |
C1[C@](C[C@]([C@@](C1)(CC)C)(C(C)C)[H])(C(=O)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97139 |