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1H-Indene-1,3,4-triol, 6-(2-chloroethyl)-2,3-dihydro-2,2,5,7-tetramethyl-, (1R-trans)-
SpectraBase Compound ID DBZf3axG3yx
InChI InChI=1S/C15H21ClO3/c1-7-9(5-6-16)8(2)12(17)11-10(7)13(18)15(3,4)14(11)19/h13-14,17-19H,5-6H2,1-4H3/t13-,14-/m1/s1
InChIKey VQSCRMIYYGGVGW-ZIAGYGMSSA-N
Mol Weight 284.78 g/mol
Molecular Formula C15H21ClO3
Exact Mass 284.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6tNQ865kaO
Name 1H-Indene-1,3,4-triol, 6-(2-chloroethyl)-2,3-dihydro-2,2,5,7-tetramethyl-, (1R-trans)-
CAS Registry Number 125472-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21ClO3
InChI InChI=1S/C15H21ClO3/c1-7-9(5-6-16)8(2)12(17)11-10(7)13(18)15(3,4)14(11)19/h13-14,17-19H,5-6H2,1-4H3/t13-,14-/m1/s1
InChIKey VQSCRMIYYGGVGW-ZIAGYGMSSA-N
Molecular Weight 284.783 g/mol
SMILES O[C@@]1(c2c(c(c(c(c2C)CCCl)C)O)[C@](C1(C)C)(O)[H])[H]
SPLASH splash10-0ue9-0090000000-0853e030872826a67de5
Source of Spectrum F-45-5438-6
Synonyms (1R,3S)-6-(2-chloroethyl)-2,2,5,7-tetramethyl-2,3-dihydro-1H-indene-1,3,4-triol trans-(1,3)-3-hydro-1,3,4-trihydro-6-(2-chloroethyl)-2,2,5,7-tetramethyl-3H-indene-1,3,4-triol
Wiley ID 1287756