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Acetic acid, 2-oxepanylidene-, methyl ester, (E)-
SpectraBase Compound ID 96slNZIBwRi
InChI InChI=1S/C9H14O3/c1-11-9(10)7-8-5-3-2-4-6-12-8/h7H,2-6H2,1H3/b8-7+
InChIKey HVPYSNCEKUMGMG-BQYQJAHWSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVy9NWdrlU8
Name Acetic acid, 2-oxepanylidene-, methyl ester, (E)-
CAS Registry Number 64670-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-11-9(10)7-8-5-3-2-4-6-12-8/h7H,2-6H2,1H3/b8-7+
InChIKey HVPYSNCEKUMGMG-BQYQJAHWSA-N
Molecular Weight 170.208 g/mol
SMILES C(\C=C/1OCCCCC1)(=O)OC
SPLASH splash10-0076-9500000000-4bb829e326bd99b72108
Source of Spectrum I-55-999-0
Synonyms Methyl (2E)-2-oxepanylideneethanoate Methyl 2-oxacycloheptaethylidene carboxylate Oxepane, acetic acid deriv.
Wiley ID 1166557