SpectraBase Spectrum ID |
FWVHmpckhu7 |
Name |
(3Asr,6ars,10ARS,10BRS)-1,7,7,10A-tetramethyl-2-phenyl-3,3A,6,6A,7,8,9,10,10A,1-B-decahydro-4-oxabenz[E]azulen-5-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
338.224580204 u |
Formula |
C23H30O2 |
InChI |
InChI=1S/C23H30O2/c1-15-17(16-9-6-5-7-10-16)13-18-21(15)23(4)12-8-11-22(2,3)19(23)14-20(24)25-18/h5-7,9-10,18-19,21H,8,11-14H2,1-4H3/t18-,19+,21+,23+/m0/s1 |
InChIKey |
SDFURWSQTSSJAR-KLJZETAQSA-N |
Molecular Weight |
338.491 g/mol |
SMILES |
[C@@]12([C@@]3(C(=C(C4=CC=CC=C4)C[C@@]3(OC(C[C@@]1(C(C)(C)CCC2)[H])=O)[H])C)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830006 |