SpectraBase Spectrum ID |
4dgkyCBdPzb |
Name |
4,2,7-Ethanylylidenecyclopenta[B]pyran-9-ol, 2,3,4,4A,7,7A-hexahydro-7A-methyl-, (2.alpha.,4.alpha.,4A.beta.,7.alpha.,7A.beta.,9S*)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
178.099379689 u |
Formula |
C11H14O2 |
InChI |
InChI=1S/C11H14O2/c1-11-6-2-3-7(11)9-8(13-11)4-5(6)10(9)12/h2-3,5-10,12H,4H2,1H3/t5-,6-,7+,8-,9-,10+,11+/m1/s1 |
InChIKey |
GAQRCYZPXDLLRU-VCUYNBBDSA-N |
Molecular Weight |
178.231 g/mol |
SMILES |
C1[C@@]2([C@@]3([C@]([C@]1([C@]1(C=C[C@@]3([C@]1(O2)C)[H])[H])[H])(O)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979209 |