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4H-Inden-4-one, 1-[1-(1,1-dimethylethoxy)ethyl]-2,3,3a,5,6,7-hexahydro-2,2,3,3-tetramethyl-, (R*,R*)-
SpectraBase Compound ID 71zn66UH5Ew
InChI InChI=1S/C19H32O2/c1-12(21-17(2,3)4)15-13-10-9-11-14(20)16(13)19(7,8)18(15,5)6/h12,16H,9-11H2,1-8H3/t12-,16-/m1/s1
InChIKey VRNWOVICBODPGK-MLGOLLRUSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNoCJUQNDqS
Name 4H-Inden-4-one, 1-[1-(1,1-dimethylethoxy)ethyl]-2,3,3a,5,6,7-hexahydro-2,2,3,3-tetramethyl-, (R*,R*)-
Alternate Name(s) (3aR)-1-[(1R)-1-tert-butoxyethyl]-2,2,3,3-tetramethyl-2,3,3a,5,6,7-hexahydro-4H-inden-4-one 1,1,2,2-Tetramethyl-3-[(t-butoxy)(methyl)methyl]-8-oxobicyclo[4.3.0]non-3-ene
CAS Registry Number 118946-89-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-12(21-17(2,3)4)15-13-10-9-11-14(20)16(13)19(7,8)18(15,5)6/h12,16H,9-11H2,1-8H3/t12-,16-/m1/s1
InChIKey VRNWOVICBODPGK-MLGOLLRUSA-N
Molecular Weight 292.463 g/mol
SMILES C=1(C(C(C)(C)[C@@]2(C1CCCC2=O)[H])(C)C)[C@](OC(C)(C)C)(C)[H]
SPLASH splash10-0udi-0090000000-e2a82e72970d1e3934ef
Source of Spectrum C-113-3908-19
Wiley ID 1295919