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7-(Benzyloxy)dodec-5-yn-3-yl acetate

View entire compound with spectra: 1 MS (GC)

7-(Benzyloxy)dodec-5-yn-3-yl acetate
SpectraBase Compound ID 5wavvpcBRpn
InChI InChI=1S/C21H30O3/c1-4-6-8-14-21(23-17-19-12-9-7-10-13-19)16-11-15-20(5-2)24-18(3)22/h7,9-10,12-13,20-21H,4-6,8,14-15,17H2,1-3H3
InChIKey ZVPZHKQCMAOQMW-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ljIvHGfdSw
Name 7-(Benzyloxy)dodec-5-yn-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-4-6-8-14-21(23-17-19-12-9-7-10-13-19)16-11-15-20(5-2)24-18(3)22/h7,9-10,12-13,20-21H,4-6,8,14-15,17H2,1-3H3
InChIKey ZVPZHKQCMAOQMW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 330.468 g/mol
SMILES C(C)(=O)OC(CC)CC#CC(CCCCC)OCc1ccccc1
SPLASH splash10-0006-9000000000-ea37c447b2913af6382c
Source of Spectrum CBC-12-171-52
Wiley ID 1786664