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Acetic acid, trichloro-, 3-(3a,4,5,6,7,7a-hexahydro-5-methyl-1-oxo-1H-inden-5-yl)propyl ester, (3a.alpha.,5.alpha.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

Acetic acid, trichloro-, 3-(3a,4,5,6,7,7a-hexahydro-5-methyl-1-oxo-1H-inden-5-yl)propyl ester, (3a.alpha.,5.alpha.,7a.alpha.)-
SpectraBase Compound ID AiRps8y0dQI
InChI InChI=1S/C15H19Cl3O3/c1-14(6-2-8-21-13(20)15(16,17)18)7-5-11-10(9-14)3-4-12(11)19/h3-4,10-11H,2,5-9H2,1H3/t10-,11+,14?/m0/s1
InChIKey XWAHFRQVOANPCO-VJDHTCGKSA-N
Mol Weight 353.67 g/mol
Molecular Formula C15H19Cl3O3
Exact Mass 352.039978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWbKwVpdDjl
Name Acetic acid, trichloro-, 3-(3a,4,5,6,7,7a-hexahydro-5-methyl-1-oxo-1H-inden-5-yl)propyl ester, (3a.alpha.,5.alpha.,7a.alpha.)-
CAS Registry Number 117360-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19Cl3O3
InChI InChI=1S/C15H19Cl3O3/c1-14(6-2-8-21-13(20)15(16,17)18)7-5-11-10(9-14)3-4-12(11)19/h3-4,10-11H,2,5-9H2,1H3/t10-,11+,14?/m0/s1
InChIKey XWAHFRQVOANPCO-VJDHTCGKSA-N
Molecular Weight 353.673 g/mol
SMILES C(C(=O)OCCCC1(C[C@@]2(C=CC([C@@]2(CC1)[H])=O)[H])C)(Cl)(Cl)Cl
SPLASH splash10-000t-9800000000-b7aefc2da999ca77f98e
Source of Spectrum H-71-193-2
Synonyms 3-(cis-3a,4,5,6,7,7a-hexahydro-5-methyl-1-oxo-1H-inden-5-yl)propyl trichloroacetate 3-[(3aR,7aR)-5-methyl-1-oxo-3a,4,5,6,7,7a-hexahydro-1H-inden-5-yl]propyl trichloroacetate
Wiley ID 1342975