| SpectraBase Spectrum ID |
89X0KCFDPQf |
| Name |
Methyl (4as*,5S*,8ar*)-1,1,3-trimethoxy-5-methyl-2-oxo-1,2,4A,5,8,8A-hexahydro-4A-naphthalenecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.141638422 u |
| Formula |
C16H22O6 |
| InChI |
InChI=1S/C16H22O6/c1-10-7-6-8-12-15(10,14(18)20-3)9-11(19-2)13(17)16(12,21-4)22-5/h6-7,9-10,12H,8H2,1-5H3/t10-,12+,15+/m0/s1 |
| InChIKey |
XTFCZGLIUMSQMQ-JVLSTEMRSA-N |
| Molecular Weight |
310.346 g/mol |
| SMILES |
C1(C(C(OC)=C[C@@]2([C@]1(CC=C[C@@]2(C)[H])[H])C(=O)OC)=O)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933942 |
