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(S)-5-Chloro-8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-benzo[b]oxocin-3-one
SpectraBase Compound ID 3BVSRF3OuAN
InChI InChI=1S/C16H21ClO3/c1-9-6-14-11(7-13(9)19-5)10(2)12(17)8-15(18)16(3,4)20-14/h6-7,10,12H,8H2,1-5H3/t10-,12?/m0/s1
InChIKey SCQOLZXHUBTESK-NUHJPDEHSA-N
Mol Weight 296.79 g/mol
Molecular Formula C16H21ClO3
Exact Mass 296.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYnTQYEYMLK
Name (S)-5-Chloro-8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-4H-benzo[b]oxocin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClO3
InChI InChI=1S/C16H21ClO3/c1-9-6-14-11(7-13(9)19-5)10(2)12(17)8-15(18)16(3,4)20-14/h6-7,10,12H,8H2,1-5H3/t10-,12?/m0/s1
InChIKey SCQOLZXHUBTESK-NUHJPDEHSA-N
Molecular Weight 296.794 g/mol
SMILES c12c(cc(c(c2)C)OC)[C@@](C(Cl)CC(C(O1)(C)C)=O)(C)[H]
SPLASH splash10-016r-0930000000-5d08a3efe04f1e85e403
Source of Spectrum H-2005-2594-0
Synonyms (6S)-5-chloro-8-methoxy-2,2,6,9-tetramethyl-5,6-dihydro-2H-1-benzoxocin-3(4H)-one (cis)-8-Methoxy-5-chloro-2,2,6,9-tetramethyl-5,6-dihydro-2H-[1]-benzoxocin (trans)-8-Methoxy-5-chloro-2,2,6,9-tetramethyl-5,6-dihydro-2H-[1]-benzoxocin
Wiley ID 1562918