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trans-3-Octen-2-one
SpectraBase Compound ID CTXa7WLVbgq
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NPRQB3pQtr
Name 3-Octen-2-one
Alternate Name(s) 3-Octen-2-one, (E)- (3E)-3-Octen-2-one (E)-3-octen-2-one (E)-Oct-3-en-2-one trans-3-Octen-2-one EINECS 216-793-3 FEMA NO. 3416
CAS Registry Number 18402-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-N
Molecular Weight 126.199 g/mol
SMILES C(\C=C\CCCC)(=O)C
SPLASH splash10-052f-9100000000-c7c6cc3e9f08c15c5f9f
Source of Spectrum XW-269-0-0
Wiley ID 1130076