| SpectraBase Spectrum ID |
H5ISKcrR7as |
| Name |
6-Methyltetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.104465070 u |
| Formula |
C16H14O |
| InChI |
InChI=1S/C16H14O/c1-16-9-8-10(6-7-13(16)17)14-11-4-2-3-5-12(11)15(14)16/h2-10,14-15H,1H3/t10-,14-,15+,16-/m0/s1 |
| InChIKey |
SECIGPCMCHKIIT-LTTZEQNMSA-N |
| Molecular Weight |
222.287 g/mol |
| SMILES |
[C@]12([C@]3(C=C[C@@]([C@]2(C=2C1=CC=CC2)[H])(C=CC3=O)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80449 |
![6-Methyltetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one](/api/spectrum/H5ISKcrR7as/structure.png?h=300&w=458 "6-Methyltetracyclo[7.6.0.0(8,13).2(2,6)]pentadecapentaene-5-one")
