| SpectraBase Spectrum ID |
1pmsTkUEE2x |
| Name |
3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-benzyl-3,3-dimethylbutanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O4 |
| InChI |
InChI=1S/C27H40O4/c1-17-18(2)31-27(30-17)21-14-15-26(8,25(21,6)7)23(27)29-22(28)20(24(3,4)5)16-19-12-10-9-11-13-19/h9-13,17-18,20-21,23H,14-16H2,1-8H3/t17-,18+,20?,21-,23-,26-,27-/m0/s1 |
| InChIKey |
MDTHUJCKOPIWSR-XRAZDEJDSA-N |
| Molecular Weight |
428.613 g/mol |
| SMILES |
[C@]12([C@]([C@@]3(C)C([C@@]2(CC3)[H])(C)C)(OC(C(C(C)(C)C)Cc2ccccc2)=O)[H])O[C@](C)([C@@](O1)(C)[H])[H] |
| SPLASH |
splash10-0006-9000000000-87ac75b3ad480c703957 |
| Source of Spectrum |
SK-31-813-5 |
| Wiley ID |
881771 |
![3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-benzyl-3,3-dimethylbutanoate](/api/spectrum/1pmsTkUEE2x/structure.png?h=300&w=458 "3,3-[(exo)-Butanedioxy]-2-(exo)-bornyl 2-benzyl-3,3-dimethylbutanoate")
