| SpectraBase Spectrum ID |
ITR4AJCNZdu |
| Name |
Carbamic acid, (1-phenylethyl)-, hexahydro-2,2,3A,7-tetramethyl-5-(phenylsulfonyl)-1,3-benzodioxol-4-Y L ester, [3as-[3A.alpha.,4.alpha.(R*),5.beta.,7.beta.,7A.alpha.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.202858955 u |
| Formula |
C26H33NO6S |
| InChI |
InChI=1S/C26H33NO6S/c1-17-16-21(34(29,30)20-14-10-7-11-15-20)23(26(5)22(17)32-25(3,4)33-26)31-24(28)27-18(2)19-12-8-6-9-13-19/h6-15,17-18,21-23H,16H2,1-5H3,(H,27,28)/t17-,18-,21+,22-,23-,26-/m0/s1 |
| InChIKey |
FGVRZJLFCPOKGY-LUTWMDISSA-N |
| Molecular Weight |
487.611 g/mol |
| SMILES |
[C@]12([C@]([C@](S(=O)(=O)C=3C=CC=CC3)(C[C@@]([C@@]1(OC(O2)(C)C)[H])(C)[H])[H])(OC(N[C@](C=1C=CC=CC1)(C)[H])=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884349 |
![Carbamic acid, (1-phenylethyl)-, hexahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-1,3-benzodioxol-4-y l ester, [3aS-[3a.alpha.,4.alpha.(R*),5.beta.,7.beta.,7a.alpha.]]-](/api/spectrum/ITR4AJCNZdu/structure.png?h=300&w=458 "Carbamic acid, (1-phenylethyl)-, hexahydro-2,2,3a,7-tetramethyl-5-(phenylsulfonyl)-1,3-benzodioxol-4-y l ester, [3aS-[3a.alpha.,4.alpha.(R*),5.beta.,7.beta.,7a.alpha.]]-")
