| SpectraBase Spectrum ID |
52uqqPUexRe |
| Name |
6H-Benzo[C]cyclopropa[B]pyran-5-ol, 1,1A,4A,5,7,8-hexahydro-1A,3,6,6-tetramethyl-, (1A.alpha.,4A.alpha.,5.beta.,8ar*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-9-7-10-11(15)12(2,3)5-6-14(10)8-13(14,4)16-9/h7,10-11,15H,5-6,8H2,1-4H3/t10-,11+,13+,14-/m1/s1 |
| InChIKey |
PCQXOSDRPPPXLY-UVLXDEKHSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@@]123[C@](OC(=C[C@@]3([C@](O)(C(CC1)(C)C)[H])[H])C)(C)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960026 |
![6H-Benzo[c]cyclopropa[b]pyran-5-ol, 1,1a,4a,5,7,8-hexahydro-1a,3,6,6-tetramethyl-, (1a.alpha.,4a.alpha.,5.beta.,8aR*)-](/api/spectrum/52uqqPUexRe/structure.png?h=300&w=458 "6H-Benzo[c]cyclopropa[b]pyran-5-ol, 1,1a,4a,5,7,8-hexahydro-1a,3,6,6-tetramethyl-, (1a.alpha.,4a.alpha.,5.beta.,8aR*)-")
