| SpectraBase Spectrum ID |
F5i41zKxEQJ |
| Name |
2,6-Benzofurandione, hexahydro-3a-methyl-, cis- |
| Alternate Name(s) |
(3aS,7aS)-3a-methylhexahydro-1-benzofuran-2,6-dione
6-Methyl-9-oxabicyclo[4.3.0]nonane-3,8-dione |
| CAS Registry Number |
76370-42-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O3 |
| InChI |
InChI=1S/C9H12O3/c1-9-3-2-6(10)4-7(9)12-8(11)5-9/h7H,2-5H2,1H3/t7-,9-/m0/s1 |
| InChIKey |
KPBHNJSUCUSMKE-CBAPKCEASA-N |
| Molecular Weight |
168.192 g/mol |
| SMILES |
[C@@]12([C@@](OC(C2)=O)(CC(CC1)=O)[H])C |
| SPLASH |
splash10-014j-5900000000-dc42e14fbcb0003e3c95 |
| Source of Spectrum |
F-45-794-6 |
| Wiley ID |
1164357 |
