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Spiro[1H-benzocycloheptene-1,2'-[1,3]dioxolan]-9a(2H)-ol, octahydro-4-(phenylsulfonyl)-, (4.alpha.,4a.alpha.,9a.alpha.)-
SpectraBase Compound ID GLf6EwyFxbo
InChI InChI=1S/C19H26O5S/c20-18-11-6-2-5-9-16(18)17(10-12-19(18)23-13-14-24-19)25(21,22)15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2/t16-,17+,18+/m0/s1
InChIKey MFNGMMHZYXJHMD-RCCFBDPRSA-N
Mol Weight 366.47 g/mol
Molecular Formula C19H26O5S
Exact Mass 366.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6Lyrh3UiiX
Name Spiro[1H-benzocycloheptene-1,2'-[1,3]dioxolan]-9a(2H)-ol, octahydro-4-(phenylsulfonyl)-, (4.alpha.,4a.alpha.,9a.alpha.)-
CAS Registry Number 127257-54-9
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O5S
InChI InChI=1S/C19H26O5S/c20-18-11-6-2-5-9-16(18)17(10-12-19(18)23-13-14-24-19)25(21,22)15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2/t16-,17+,18+/m0/s1
InChIKey MFNGMMHZYXJHMD-RCCFBDPRSA-N
Molecular Weight 366.472 g/mol
SMILES O[C@@]12[C@]([C@](S(=O)(=O)c3ccccc3)(CCC22OCCO2)[H])(CCCCC1)[H]
SPLASH splash10-000i-9000000000-525e0f2d55fff5704b09
Source of Spectrum J-55-3965-22
Synonyms (4R,4aR,9aR)-4-(benzenesulfonyl)-decahydrospiro[-benzo[7]annulene-1,2'-[1,3]dioxolane]-9a-ol 1-Hydroxy-2-(ethylenedioxy)-5-(phenylsulfonyl)bicyclo[4.5.0]undecane
Wiley ID 1351866