| SpectraBase Spectrum ID |
KGgedp7f7Hu |
| Name |
1H-Cyclobuta[de]naphthalene-1-pentanol, 1A,2,3,4,4A,5,7A,7B-octahydro-1-(hydroxymethyl)-.beta.,4,7-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.255880333 u |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-13(11-21)5-4-10-20(12-22)17-9-7-14(2)16-8-6-15(3)19(20)18(16)17/h6,13-14,16-19,21-22H,4-5,7-12H2,1-3H3/t13?,14-,16-,17+,18-,19-,20-/m1/s1 |
| InChIKey |
VZRINGDASRDKLL-SPMWWZMZSA-N |
| SMILES |
[C@]1([C@@]2(C(=CC[C@]3([C@@]2([C@@]1(CC[C@]3(C)[H])[H])[H])[H])C)[H])(CO)CCCC(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85653 |
![1H-Cyclobuta[de]naphthalene-1-pentanol, 1a,2,3,4,4a,5,7a,7b-octahydro-1-(hydroxymethyl)-.beta.,4,7-trimethyl-](/api/spectrum/KGgedp7f7Hu/structure.png?h=300&w=458 "1H-Cyclobuta[de]naphthalene-1-pentanol, 1a,2,3,4,4a,5,7a,7b-octahydro-1-(hydroxymethyl)-.beta.,4,7-trimethyl-")
