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1,3-Dioxane, 2,2-dimethyl-4-phenyl-5-(phenylmethyl)-, (4S-trans)-
SpectraBase Compound ID D1s6fbP7Lt9
InChI InChI=1S/C19H22O2/c1-19(2)20-14-17(13-15-9-5-3-6-10-15)18(21-19)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18+/m0/s1
InChIKey BQKIHNKVKNSJMP-ZWKOTPCHSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgLX4224PV5
Name 1,3-Dioxane, 2,2-dimethyl-4-phenyl-5-(phenylmethyl)-, (4S-trans)-
CAS Registry Number 121097-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-19(2)20-14-17(13-15-9-5-3-6-10-15)18(21-19)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18+/m0/s1
InChIKey BQKIHNKVKNSJMP-ZWKOTPCHSA-N
Molecular Weight 282.383 g/mol
SMILES [C@]1(OC(OC[C@@]1(Cc1ccccc1)[H])(C)C)(c1ccccc1)[H]
SPLASH splash10-014i-0900000000-ac54756f1f49c754b44e
Source of Spectrum C-113-3424-5
Synonyms (4S,5S)-5-benzyl-2,2-dimethyl-4-phenyl-1,3-dioxane
Wiley ID 1286404