| SpectraBase Spectrum ID |
JRQPXG7sXCr |
| Name |
7-Oxabicyclo[2.2.1]heptane, 2-(chloromethylene)-3,5,6-tris(methylene)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.034192609 u |
| Formula |
C10H9ClO |
| InChI |
InChI=1S/C10H9ClO/c1-5-6(2)10-8(4-11)7(3)9(5)12-10/h4,9-10H,1-3H2/b8-4+/t9-,10-/m0/s1 |
| InChIKey |
GXAGZCXNRMHISK-DQRKKKBRSA-N |
| SMILES |
[C@@]12(\C(C([C@](C(C2=C)=C)(O1)[H])=C)=C\Cl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819254 |
![7-Oxabicyclo[2.2.1]heptane, 2-(chloromethylene)-3,5,6-tris(methylene)-, (E)-](/api/spectrum/JRQPXG7sXCr/structure.png?h=300&w=458 "7-Oxabicyclo[2.2.1]heptane, 2-(chloromethylene)-3,5,6-tris(methylene)-, (E)-")
