| SpectraBase Spectrum ID |
4u97YSXU06S |
| Name |
(1R*,2S*,4S*)-(+-)-1,2,3,4,5,6,7,8,9,10-decahydro-1,4-epoxybenzocyclooctene-2-carboxylic acid |
| CAS Registry Number |
114379-51-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c14-13(15)10-7-11-8-5-3-1-2-4-6-9(8)12(10)16-11/h10-12H,1-7H2,(H,14,15)/t10-,11-,12-/m0/s1 |
| InChIKey |
ZFKRBXVQSIBGGG-SRVKXCTJSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
OC([C@@]1([C@@]2(C3=C(CCCCCC3)[C@](O2)([H])C1)[H])[H])=O |
| SPLASH |
splash10-0udi-0900000000-527aeb7f1065e6e91361 |
| Source of Spectrum |
K-121-1629-1 |
| Synonyms |
(1S,10R,11S)-13-oxatricyclo[8.2.1.0(2,9)]tridec-2(9)-ene-11-carboxylic acid |
| Wiley ID |
1222623 |
