| SpectraBase Spectrum ID |
BmdYJZz73Ul |
| Name |
Methyl trans-4A,cis-4B,trans-8A,cis-10A-perhydro-trans-2,4B,8,8-tetramethylphenanthrene-2,10A-dicarboxylate, [2S-(12A.alpha.-4B.beta,8A.alpha.,10B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-19(2)10-7-11-21(4)15(19)9-13-22(18(24)26-6)14-20(3,17(23)25-5)12-8-16(21)22/h15-16H,7-14H2,1-6H3 |
| InChIKey |
FIFXFQJOZQSXNB-UHFFFAOYSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C1CC(C2C(C1)(C1C(CC2)(CC(C(OC)=O)(C)CC1)C(OC)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862492 |
![Methyl trans-4A,cis-4B,trans-8A,cis-10A-perhydro-trans-2,4B,8,8-tetramethylphenanthrene-2,10A-dicarboxylate, [2S-(12A.alpha.-4B.beta,8A.alpha.,10B.alpha.)]-](/api/spectrum/BmdYJZz73Ul/structure.png?h=300&w=458 "Methyl trans-4A,cis-4B,trans-8A,cis-10A-perhydro-trans-2,4B,8,8-tetramethylphenanthrene-2,10A-dicarboxylate, [2S-(12A.alpha.-4B.beta,8A.alpha.,10B.alpha.)]-")
