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2-Ethoxy-3-pent-3-ynyl-1-azepanecarboxylic acid tert-butyl ester
SpectraBase Compound ID FbouA0DMbLV
InChI InChI=1S/C18H31NO3/c1-6-8-9-12-15-13-10-11-14-19(16(15)21-7-2)17(20)22-18(3,4)5/h15-16H,7,9-14H2,1-5H3
InChIKey OLJVCAWCVXMUIQ-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C18H31NO3
Exact Mass 309.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62kHz31wOdN
Name 2-Ethoxy-3-pent-3-ynyl-1-azepanecarboxylic acid tert-butyl ester
CAS Registry Number 124944-14-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO3
InChI InChI=1S/C18H31NO3/c1-6-8-9-12-15-13-10-11-14-19(16(15)21-7-2)17(20)22-18(3,4)5/h15-16H,7,9-14H2,1-5H3
InChIKey OLJVCAWCVXMUIQ-UHFFFAOYSA-N
Molecular Weight 309.450 g/mol
SMILES C(N1C(C(CCC#CC)CCCC1)OCC)(OC(C)(C)C)=O
SPLASH splash10-0a4i-9020000000-82e4b38291be65fde7fb
Source of Spectrum J-55-1456-52
Synonyms 2-Ethoxy-3-pent-3-ynyl-azepane-1-carboxylic acid tert-butyl ester tert-Butyl 2-ethoxy-3-pent-3-ynyl-azepane-1-carboxylate
Wiley ID 1310728