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3-(4',5',6',7'-Tetrahydro-2'-methylisoindol-1'-yl)acrolein
SpectraBase Compound ID B0jewCuwl1L
InChI InChI=1S/C12H15NO/c1-13-9-10-5-2-3-6-11(10)12(13)7-4-8-14/h4,7-9H,2-3,5-6H2,1H3/b7-4+
InChIKey BJKQIMMFARGGKV-QPJJXVBHSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTmmHGy6zBK
Name 3-(4',5',6',7'-Tetrahydro-2'-methylisoindol-1'-yl)acrolein
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-13-9-10-5-2-3-6-11(10)12(13)7-4-8-14/h4,7-9H,2-3,5-6H2,1H3/b7-4+
InChIKey BJKQIMMFARGGKV-QPJJXVBHSA-N
Molecular Weight 189.258 g/mol
SMILES c1([n](cc2CCCCc12)C)\C=C\C=O
SPLASH splash10-06sc-2900000000-b1e57d4a70b0d9efdf58
Source of Spectrum U-1994-508-21
Synonyms (2E)-3-(2-methyl-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-2-propenal
Wiley ID 765791