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anti/syn-Ethyl 5-(phenylsulfonyl)-4,7-dihydro-4,7-ethano-2H-isoindole-1-carboxylate
SpectraBase Compound ID KmRu27MPA0E
InChI InChI=1S/C19H19NO4S/c1-2-24-19(21)18-17-12-8-9-14(15(17)11-20-18)16(10-12)25(22,23)13-6-4-3-5-7-13/h3-7,10-12,14,20H,2,8-9H2,1H3/t12-,14-/m1/s1
InChIKey JAUBAGXVLAKBBW-TZMCWYRMSA-N
Mol Weight 357.42 g/mol
Molecular Formula C19H19NO4S
Exact Mass 357.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Fd172HDkbk
Name anti/syn-Ethyl 5-(phenylsulfonyl)-4,7-dihydro-4,7-ethano-2H-isoindole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO4S
InChI InChI=1S/C19H19NO4S/c1-2-24-19(21)18-17-12-8-9-14(15(17)11-20-18)16(10-12)25(22,23)13-6-4-3-5-7-13/h3-7,10-12,14,20H,2,8-9H2,1H3/t12-,14-/m1/s1
InChIKey JAUBAGXVLAKBBW-TZMCWYRMSA-N
Molecular Weight 357.424 g/mol
SMILES [nH]1c(c2[C@]3(C=C([C@@](c2c1)(CC3)[H])S(=O)(=O)c1ccccc1)[H])C(=O)OCC
SPLASH splash10-004i-0029000000-0eb99b011ce16916e7c4
Source of Spectrum KC-0-4353-9
Synonyms 8-Benzenesulfonyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,5,8-triene-3-carboxylic acid ethyl ester Ethyl 8-(phenylsulfonyl)-4-azatricyclo[5.2.2.0(2,6)]undeca-2,5,8-triene-3-carboxylate
Wiley ID 832126