| SpectraBase Spectrum ID |
Erzb7s543ph |
| Name |
(1S*,3aR*,4R*,6aR*)-4-Methyl-5-oxo-1,3a,4,5,6,6a-hexahydropentalen-1-carboxylic acid methyl ester |
| Alternate Name(s) |
methyl (1S,3aR,4R,6aR)-4-methyl-5-oxo-1,3a,4,5,6,6a-hexahydro-1-pentalenecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-6-7-3-4-8(11(13)14-2)9(7)5-10(6)12/h3-4,6-9H,5H2,1-2H3/t6-,7+,8+,9-/m1/s1 |
| InChIKey |
JULXUMJVCCDKMP-RYPBNFRJSA-N |
| Molecular Weight |
194.230 g/mol |
| SMILES |
[C@@]12([C@@](C=C[C@@]2(C(=O)OC)[H])([C@@](C)(C(C1)=O)[H])[H])[H] |
| SPLASH |
splash10-0006-9100000000-46c22fda51a8f5279176 |
| Source of Spectrum |
J-64-661-15 |
| Wiley ID |
1529192 |
