| SpectraBase Spectrum ID |
2AXjCXMSJXA |
| Name |
(5Z)-2,6-dimethyl-5-[[8-(3-methyl-3-oxidanyl-but-1-ynyl)naphthalen-1-yl]methylidene]hept-3-yne-2,6-diol |
| Alternate Name(s) |
(5Z)-5-[[8-(3-hydroxy-3-methyl-but-1-ynyl)-1-naphthyl]methylene]-2,6-dimethyl-hept-3-yne-2,6-diol
(5Z)-5-[[8-(3-hydroxy-3-methylbut-1-ynyl)-1-naphthalenyl]methylidene]-2,6-dimethyl-3-heptyne-2,6-diol
(5Z)-5-[[8-(3-hydroxy-3-methylbut-1-ynyl)naphthalen-1-yl]methylidene]-2,6-dimethylhept-3-yne-2,6-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28O3 |
| InChI |
InChI=1S/C25H28O3/c1-23(2,26)15-13-19-11-7-9-18-10-8-12-20(22(18)19)17-21(25(5,6)28)14-16-24(3,4)27/h7-12,17,26-28H,1-6H3/b21-17- |
| InChIKey |
GNRGSIXNYDKAIV-FXBPSFAMSA-N |
| Molecular Weight |
376.496 g/mol |
| SMILES |
OC(C#Cc1c2c(\C=C/(C(O)(C)C)C#CC(O)(C)C)cccc2ccc1)(C)C |
| SPLASH |
splash10-0a4i-9000000000-d96ff1618a220cac2682 |
| Source of Spectrum |
J-63-2856-4 |
| Wiley ID |
1358068 |
![(Z)-5-[(8-(3-HYDROXY-3-METHYL-1-BUTYNYL)-1-NAPHTHYL)-METHYLIDENE]-2,6-DIMETHYL-3-HEPTYNE-2,6-DIOL](/api/spectrum/2AXjCXMSJXA/structure.png?h=300&w=458 "(Z)-5-[(8-(3-HYDROXY-3-METHYL-1-BUTYNYL)-1-NAPHTHYL)-METHYLIDENE]-2,6-DIMETHYL-3-HEPTYNE-2,6-DIOL")
