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(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
SpectraBase Compound ID 3gWjSezPZ7g
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
Mol Weight 338.49 g/mol
Molecular Formula C23H30O2
Exact Mass 338.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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