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Benzyl 4-pentynoate

View entire compound with spectra: 2 MS (GC)

Benzyl 4-pentynoate
SpectraBase Compound ID 5va6IZtrkXw
InChI InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2
InChIKey XGYMSTGTNFBNFT-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44l66dUFn66
Name Benzyl 4-pentynoate
Alternate Name(s) (phenylmethyl) pent-4-ynoate 4-Pentynoic acid (phenylmethyl) ester benzyl pent-4-ynoate Pent-4-ynoic acid benzyl ester
CAS Registry Number 126378-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h1,4-8H,3,9-10H2
InChIKey XGYMSTGTNFBNFT-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES c1cc(ccc1)COC(=O)CCC#C
SPLASH splash10-0006-9300000000-3773691871afb7ee29ab
Wiley ID 1487371