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1H-Indene-2-carboxylic acid, 2,3-dihydro-1-hydroxy-2-(2-propenyl)-1-(trifluoromethyl)-, ethyl ester, cis-
SpectraBase Compound ID Kn01NLnDvCf
InChI InChI=1S/C16H17F3O3/c1-3-9-14(13(20)22-4-2)10-11-7-5-6-8-12(11)15(14,21)16(17,18)19/h3,5-8,21H,1,4,9-10H2,2H3/t14-,15+/m1/s1
InChIKey PKOLTTIWERXNOA-CABCVRRESA-N
Mol Weight 314.3 g/mol
Molecular Formula C16H17F3O3
Exact Mass 314.112979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GofrOB0vGtj
Name 1H-Indene-2-carboxylic acid, 2,3-dihydro-1-hydroxy-2-(2-propenyl)-1-(trifluoromethyl)-, ethyl ester, cis-
CAS Registry Number 121692-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3O3
InChI InChI=1S/C16H17F3O3/c1-3-9-14(13(20)22-4-2)10-11-7-5-6-8-12(11)15(14,21)16(17,18)19/h3,5-8,21H,1,4,9-10H2,2H3/t14-,15+/m1/s1
InChIKey PKOLTTIWERXNOA-CABCVRRESA-N
Molecular Weight 314.304 g/mol
SMILES O[C@@]1([C@](Cc2ccccc12)(C(=O)OCC)CC=C)C(F)(F)F
SPLASH splash10-001j-2790000000-3909fe2a0f8c8781c44e
Source of Spectrum KC-1989-397-10
Synonyms Ethyl (1-trifluoromthyl-1-hydroxy-2-allyl)inden-2-carboxylate Ethyl (1S,2S)-2-allyl-1-hydroxy-1-(trifluoromethyl)-2,3-dihydro-1H-indene-2-carboxylate
Wiley ID 1314870