SpectraBase Spectrum ID |
EhyQPbzFNlC |
Name |
4,8,5,7-Ethanediylidene-2H-pentaleno[1,6-bc]oxepin-2-ol,decahydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.115029753 u |
Formula |
C13H16O2 |
InChI |
InChI=1S/C13H16O2/c14-6-2-5-7-3-1-4-9-11(8(3)5)12(9)13(15-6)10(4)7/h3-14H,1-2H2 |
InChIKey |
RYLISILFPHJACP-UHFFFAOYSA-N |
Molecular Weight |
204.269 g/mol |
SMILES |
C12C3C4OC(CC5C2C2C5C4C(C13)C2)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95773 |