| SpectraBase Spectrum ID |
2kQN6LJBtzc |
| Name |
Isospathulenol |
| CAS Registry Number |
88395-46-4 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h11-13,16H,5-8H2,1-4H3 |
| InChIKey |
FPRYGNYXOFHMLF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Quality |
975 |
| Retention Index |
1669 |
| SMILES |
OC1(C2C3C(C3CCC(=C2CC1)C)(C)C)C |
| SPLASH |
splash10-052f-6900000000-2597f85ae19bed50f37e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1aR,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulen-7-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024898 |
![1H-CYCLOPROP[E]AZULEN-7-OL, 1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-](/api/spectrum/2kQN6LJBtzc/structure.png?h=300&w=458 "1H-CYCLOPROP[E]AZULEN-7-OL, 1A,2,3,5,6,7,7A,7B-OCTAHYDRO-1,1,4,7-TETRAMETHYL-")
