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1-Aza-1-benzyl-6-[2'-(2-(benzyloxy)ethyl)-4',5'-(methylenedioxy)phenyl]-7-(pivaloyloxy)spiro[4.4]non-6-en-3-one Dithioketal
SpectraBase Compound ID EIrQRG1eaEX
InChI InChI=1S/C38H43NO5S2/c1-36(2,3)35(40)44-31-14-16-37(24-38(45-18-19-46-38)25-39(37)22-27-10-6-4-7-11-27)34(31)30-21-33-32(42-26-43-33)20-29(30)15-17-41-23-28-12-8-5-9-13-28/h4-13,20-21H,14-19,22-26H2,1-3H3
InChIKey VKOUWFSKWYASNZ-UHFFFAOYSA-N
Mol Weight 657.9 g/mol
Molecular Formula C38H43NO5S2
Exact Mass 657.258266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2X6WTwtOscZ
Name 1-Aza-1-benzyl-6-[2'-(2-(benzyloxy)ethyl)-4',5'-(methylenedioxy)phenyl]-7-(pivaloyloxy)spiro[4.4]non-6-en-3-one Dithioketal
Alternate Name(s) 12-benzyl-8-{6-[2-(benzyloxy)ethyl]-1,3-benzodioxol-5-yl}-1,4-dithia-12-azadispiro[4.1.4.2]tridec-8-en-9-yl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H43NO5S2
InChI InChI=1S/C38H43NO5S2/c1-36(2,3)35(40)44-31-14-16-37(24-38(45-18-19-46-38)25-39(37)22-27-10-6-4-7-11-27)34(31)30-21-33-32(42-26-43-33)20-29(30)15-17-41-23-28-12-8-5-9-13-28/h4-13,20-21H,14-19,22-26H2,1-3H3
InChIKey VKOUWFSKWYASNZ-UHFFFAOYSA-N
Molecular Weight 657.884 g/mol
SMILES C12(C(c3cc4OCOc4cc3CCOCc3ccccc3)=C(OC(C(C)(C)C)=O)CC2)N(CC2(C1)SCCS2)Cc1ccccc1
SPLASH splash10-0ab9-0351198000-68cbe81b6b9eeccf28ea
Source of Spectrum J-61-7344-17
Wiley ID 1413418