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3-{7-[(4-methylphenyl)sulfonyl]-7,8-dihydto-6H-furo[2,3-e]isoindol-2-yl)propyl 4-methylbenzenesulfonate
SpectraBase Compound ID 3D0VbELiLD0
InChI InChI=1S/C27H27NO6S2/c1-19-5-11-24(12-6-19)35(29,30)28-17-22-10-9-21-16-23(34-27(21)26(22)18-28)4-3-15-33-36(31,32)25-13-7-20(2)8-14-25/h5-14,16H,3-4,15,17-18H2,1-2H3
InChIKey ZOTLKRGYGBWEIW-UHFFFAOYSA-N
Mol Weight 525.63 g/mol
Molecular Formula C27H27NO6S2
Exact Mass 525.12798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mRwzAWoQfN
Name 3-{7-[(4-methylphenyl)sulfonyl]-7,8-dihydto-6H-furo[2,3-e]isoindol-2-yl)propyl 4-methylbenzenesulfonate
Alternate Name(s) 3-{7-[(4-methylphenyl)sulfonyl]-7,8-dihydto-6H-furo[2,3-e]isoindol-2-yl}propyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO6S2
InChI InChI=1S/C27H27NO6S2/c1-19-5-11-24(12-6-19)35(29,30)28-17-22-10-9-21-16-23(34-27(21)26(22)18-28)4-3-15-33-36(31,32)25-13-7-20(2)8-14-25/h5-14,16H,3-4,15,17-18H2,1-2H3
InChIKey ZOTLKRGYGBWEIW-UHFFFAOYSA-N
Molecular Weight 525.634 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2ccc3cc(oc3c12)CCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-006y-7910000000-d32e315fee1d774a39b7
Source of Spectrum F4-40-2717-14f
Wiley ID 1670892