| SpectraBase Spectrum ID |
Gjte7jvbPPp |
| Name |
Spiro[1,3-dioxolane-2,3'(2'H)-[1,4]methanopentalene]-7-methanol, hexahydro-1'-methyl-, (1'.alpha.,3'A.beta.,4'.alpha.,6'A.beta.,7'S*)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-12-7-13(15-4-5-16-13)11-8(10(12)6-14)2-3-9(11)12/h8-11,14H,2-7H2,1H3/t8-,9-,10?,11+,12+/m0/s1 |
| InChIKey |
OTXIDKJEIITYCH-HIQXDMJCSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@](C2CO)(CC3)[H])(C2(C1)OCCO2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960117 |
![Spiro[1,3-dioxolane-2,3'(2'H)-[1,4]methanopentalene]-7-methanol, hexahydro-1'-methyl-, (1'.alpha.,3'a.beta.,4'.alpha.,6'a.beta.,7'S*)-(.+-.)-](/api/spectrum/Gjte7jvbPPp/structure.png?h=300&w=458 "Spiro[1,3-dioxolane-2,3'(2'H)-[1,4]methanopentalene]-7-methanol, hexahydro-1'-methyl-, (1'.alpha.,3'a.beta.,4'.alpha.,6'a.beta.,7'S*)-(.+-.)-")
