| SpectraBase Spectrum ID |
I1Al8sBBSap |
| Name |
(1S,4as,5R,6R)-5-(2-Acetoxyethyl)-1,4A-dimethyl-spiro[decalin-6,2'-oxirane]-1-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.209324061 u |
| Formula |
C19H30O5 |
| InChI |
InChI=1S/C19H30O5/c1-13(20)23-11-7-15-17(2)8-5-9-18(3,16(21)22-4)14(17)6-10-19(15)12-24-19/h14-15H,5-12H2,1-4H3/t14?,15-,17+,18+,19+/m1/s1 |
| InChIKey |
CEOWTYQHZIJRQY-PMFQTJODSA-N |
| Molecular Weight |
338.444 g/mol |
| SMILES |
[C@@]12(C([C@](C(=O)OC)(C)CCC2)CC[C@]2([C@@]1(CCOC(=O)C)[H])OC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973961 |
![(1S,4aS,5R,6R)-5-(2-acetoxyethyl)-1,4a-dimethyl-spiro[decalin-6,2'-oxirane]-1-carboxylic acid methyl ester](/api/spectrum/I1Al8sBBSap/structure.png?h=300&w=458 "(1S,4aS,5R,6R)-5-(2-acetoxyethyl)-1,4a-dimethyl-spiro[decalin-6,2'-oxirane]-1-carboxylic acid methyl ester")
