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Acetic acid, [[1-[(phenylmethoxy)methyl]-2-butynyl]oxy]-, (.+-.)-
SpectraBase Compound ID 7Hn7ICcpOHS
InChI InChI=1S/C14H16O4/c1-2-6-13(18-11-14(15)16)10-17-9-12-7-4-3-5-8-12/h3-5,7-8,13H,9-11H2,1H3,(H,15,16)
InChIKey QRFMZYGWMAMTCB-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x6dDELuUTv
Name Acetic acid, [[1-[(phenylmethoxy)methyl]-2-butynyl]oxy]-, (.+-.)-
CAS Registry Number 131043-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-6-13(18-11-14(15)16)10-17-9-12-7-4-3-5-8-12/h3-5,7-8,13H,9-11H2,1H3,(H,15,16)
InChIKey QRFMZYGWMAMTCB-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES OC(COC(C#CC)COCc1ccccc1)=O
SPLASH splash10-0006-9200000000-e1d0603ed419a22a4e6e
Source of Spectrum J-56-964-7
Synonyms ({1-[(benzyloxy)methyl]-2-butynyl}oxy)acetic acid 1-[[1-[(benzyloxy)methyl]-2-butynyl]oxy]acetic acid
Wiley ID 1251085