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(E)-hept-2-enal
SpectraBase Compound ID 2cNZw7wQrQu
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChIKey NDFKTBCGKNOHPJ-AATRIKPKSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFbVFrcdsBD
Name 2-Heptenal, (E)-
Alternate Name(s) (2E)-2-Heptenal (E)-2-Hepten-1-al (E)-2-Heptenal (E)-Hept-2-enal .beta.-Butylacrolein 2-Heptenal 2-Heptenal, (2E)- 2-trans-Heptenal 3-Butylacrolein Hept-trans-2-enal n-Hept-trans-2-enal trans-2-Hepten-1-al trans-2-Heptenal BRN 1700822 CCRIS 4566 EINECS 242-608-0 FEMA NO. 3165
CAS Registry Number 18829-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChIKey NDFKTBCGKNOHPJ-AATRIKPKSA-N
Molecular Weight 112.172 g/mol
SMILES C(\C=C\C=O)CCC
SPLASH splash10-056u-9000000000-40113fc34f400d148026
Source of Spectrum MG-206-0-0
Wiley ID 1123294