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(E)-5-[(1aR,3aS,4R,7aR,7bS)-3a,7b-dimethyl-5-methylene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl]-3-methyl-2-pentenoic acid

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

(E)-5-[(1aR,3aS,4R,7aR,7bS)-3a,7b-dimethyl-5-methylene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl]-3-methyl-2-pentenoic acid
SpectraBase Compound ID Ia830BF0PkK
InChI InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16-,17+,19+,20+/m1/s1
InChIKey PCLDEDSUWNZZDJ-DTNIWGDASA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AZtNWb8mysW
Name (E)-5-[(1ar,3as,4R,7ar,7bs)-3A,7B-Dimethyl-5-methylene-1,1A,2,3,4,6,7,7A-octahydrocyclopropa[A]naphthalen-4-yl]-3-methyl-2-pentenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16-,17+,19+,20+/m1/s1
InChIKey PCLDEDSUWNZZDJ-DTNIWGDASA-N
SMILES [C@]12([C@@]3([C@@]([C@](CC\C(=C\C(=O)O)C)(C(CC3)=C)[H])(C)CC[C@]1([H])C2)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862827