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6,8-Methano-3H-2-benzopyran-3-one, octahydro-7,7-dimethyl-4-(phenylseleno)-, [4S-(4.alpha.,4a.alpha.,6.beta.,8.beta.,8a.beta.)]-
SpectraBase Compound ID 8NePOU4RUxX
InChI InChI=1S/C18H22O2Se/c1-18(2)11-8-13-14(15(18)9-11)10-20-17(19)16(13)21-12-6-4-3-5-7-12/h3-7,11,13-16H,8-10H2,1-2H3/t11-,13-,14+,15-,16-/m0/s1
InChIKey WVDPTLMPEODJAV-SLZITWOASA-N
Mol Weight 349.34 g/mol
Molecular Formula C18H22O2Se
Exact Mass 350.078502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUhl6hyyB1M
Name 6,8-Methano-3H-2-benzopyran-3-one, octahydro-7,7-dimethyl-4-(phenylseleno)-, [4S-(4.alpha.,4a.alpha.,6.beta.,8.beta.,8a.beta.)]-
Alternate Name(s) (1S,2S,6S,7S,9R)-10,10-dimethyl-6-(phenylselanyl)-4-oxatricyclo[7.1.1.0(2,7)]undecan-5-one (4S,4aS,6R,8S,8aS)-7,7-dimethyl-4-(phenylseleno)-6,8-methano-perhydroisochroman-3-one
CAS Registry Number 86833-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2Se
InChI InChI=1S/C18H22O2Se/c1-18(2)11-8-13-14(15(18)9-11)10-20-17(19)16(13)21-12-6-4-3-5-7-12/h3-7,11,13-16H,8-10H2,1-2H3/t11-,13-,14+,15-,16-/m0/s1
InChIKey WVDPTLMPEODJAV-SLZITWOASA-N
Molecular Weight 349.344 g/mol
SMILES [C@]12([C@]3([C@]([C@]([Se]c4ccccc4)(C(OC3)=O)[H])([H])C[C@](C1)([H])C2(C)C)[H])[H]
SPLASH splash10-069c-7901000000-cfe9408ab1c9d467e13b
Source of Spectrum H-66-1005-0
Wiley ID 1341854