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(3.alpha.,3a.alpha.,3b.beta.,4.beta.,6a.beta.,.7a.alpha.)-decahydro-3b,4-oxirene-3-benzoyloxy-2,2-dimethyl-1H-cyclopenta[a]pentalene

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

(3.alpha.,3a.alpha.,3b.beta.,4.beta.,6a.beta.,.7a.alpha.)-decahydro-3b,4-oxirene-3-benzoyloxy-2,2-dimethyl-1H-cyclopenta[a]pentalene
SpectraBase Compound ID 706HOuryPFm
InChI InChI=1S/C20H24O3/c1-19(2)11-13-10-14-8-9-15-20(14,23-15)16(13)17(19)22-18(21)12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3/t13-,14+,15-,16-,17+,20-/m0/s1
InChIKey JWQIIYZRAGIJJH-ZYABLZSBSA-N
Mol Weight 312.41 g/mol
Molecular Formula C20H24O3
Exact Mass 312.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CuKNBfgCkeo
Name (3.alpha.,3A.alpha.,3B.beta.,4.beta.,6A.beta.,.7A.alpha.)-Decahydro-3B,4-oxirene-3-benzoyloxy-2,2-dimethyl-1H-cyclopenta[A]pentalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.172544630 u
Formula C20H24O3
InChI InChI=1S/C20H24O3/c1-19(2)11-13-10-14-8-9-15-20(14,23-15)16(13)17(19)22-18(21)12-6-4-3-5-7-12/h3-7,13-17H,8-11H2,1-2H3/t13-,14+,15-,16-,17+,20-/m0/s1
InChIKey JWQIIYZRAGIJJH-ZYABLZSBSA-N
Molecular Weight 312.409 g/mol
SMILES [C@@]123O[C@]3(CC[C@@]1(C[C@@]1([C@]2([C@@](OC(=O)C2=CC=CC=C2)(C(C)(C)C1)[H])[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828291