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6,8-Methano-3H-2-benzopyran-3-one, octahydro-7,7-dimethyl-4-(phenylseleno)-, [4R-(4.alpha.,4a.alpha.,6.beta.,8.beta.,8a.beta.)]-
SpectraBase Compound ID 9DpdRjIiSQv
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-HVQZGBDUSA-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 614ml0Ed0ja
Name 6,8-Methano-3H-2-benzopyran-3-one, octahydro-7,7-dimethyl-4-(phenylseleno)-, [4R-(4.alpha.,4a.alpha.,6.beta.,8.beta.,8a.beta.)]-
CAS Registry Number 86787-03-3
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-HVQZGBDUSA-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 splash10-00kf-9301000000-1c77e5bedceba8a59eb2
Source of Spectrum H-66-1005-0
Synonyms (1S,2S,6R,7S,9R)-10,10-dimethyl-6-(phenylselanyl)-4-oxatricyclo[7.1.1.0(2,7)]undecan-5-one (4R,4aS,6R,8S,8aS)-7,7-dimethyl-4-(phenylseleno)-6,8-methano-perhydroisochroman-3-one
Wiley ID 1341853