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3-Buten-2-one, 4-(1H-pyrrol-2-yl)-, (E)-
SpectraBase Compound ID CKTpMEdqHQL
InChI InChI=1S/C8H9NO/c1-7(10)4-5-8-3-2-6-9-8/h2-6,9H,1H3/b5-4+
InChIKey ZCIZMFXGAJSYAJ-SNAWJCMRSA-N
Mol Weight 135.17 g/mol
Molecular Formula C8H9NO
Exact Mass 135.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQVe5eCHU12
Name 3-Buten-2-one, 4-(1H-pyrrol-2-yl)-, (E)-
CAS Registry Number 2433-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO
InChI InChI=1S/C8H9NO/c1-7(10)4-5-8-3-2-6-9-8/h2-6,9H,1H3/b5-4+
InChIKey ZCIZMFXGAJSYAJ-SNAWJCMRSA-N
Molecular Weight 135.166 g/mol
SMILES [nH]1c(ccc1)\C=C\C(C)=O
SPLASH splash10-0076-9800000000-6ac07314940fef04e1bf
Source of Spectrum KC-73-1421-10
Synonyms (3E)-4-(1H-Pyrrol-2-yl)-3-buten-2-one (E)-4-(1H-pyrrol-2-yl)-3-buten-2-one (E)-4-(1H-pyrrol-2-yl)but-3-en-2-one 3-Buten-2-one, 4-(2-pyrrolyl)-, (E)-
Wiley ID 1135385