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3',4A',6'8'-TETRA-TERT.-BUTYL-4A',10A'-DIHYDROSPIRO-[4H-3,1-BENZOXATHIIN-2,1'(2'H)-DIBENZODIOXIN]-2'-ONE
SpectraBase Compound ID 1JsjTiI2SCN
InChI InChI=1S/C35H46O4S/c1-30(2,3)22-17-23(31(4,5)6)27-25(18-22)38-29-34(39-27,33(10,11)12)19-24(32(7,8)9)28(36)35(29)37-20-21-15-13-14-16-26(21)40-35/h13-19,29H,20H2,1-12H3
InChIKey OEPPVYPQXVTXIF-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C35H46O4S
Exact Mass 562.311681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4FctcxH17Y
Name 3',4a',7',9-Tetra-tert-butyl-4a',10a'-dihydrospiro-[4H-3,1-benzoxathiin-2,1'(2H)-dibenzodioxin]-2'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H46O4S
InChI InChI=1S/C35H46O4S/c1-30(2,3)22-17-23(31(4,5)6)27-25(18-22)38-29-34(39-27,33(10,11)12)19-24(32(7,8)9)28(36)35(29)37-20-21-15-13-14-16-26(21)40-35/h13-19,29H,20H2,1-12H3
InChIKey OEPPVYPQXVTXIF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19901230530
Molecular Weight 562.809 g/mol
SMILES c12c(COC3(S2)C2Oc4cc(cc(c4OC2(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)cccc1
SPLASH splash10-0a5i-9300000000-eb990ba8ce0468223a44
Source of Spectrum K-123-1148-9
Synonyms 3',4a',6',8'-tetra-tert-butyl-4a',10a'-dihydro-2'H,4H-spiro[benzo[d][1,3]oxathiine-2,1'-dibenzo[b,e][1,4]dioxin]-2'-one
Wiley ID 1792113