For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2R/S,5S)-5-(tert-Butoxycarbonylamino)-2-isopropyl]-6-methyl-hept-3-enoic acid methyl ester
SpectraBase Compound ID HQHJsMHm4ck
InChI InChI=1S/C17H31NO4/c1-11(2)13(15(19)21-8)9-10-14(12(3)4)18-16(20)22-17(5,6)7/h9-14H,1-8H3,(H,18,20)/b10-9+/t13-,14+/m0/s1
InChIKey GZIFGVAOWHQLIV-XACNLCELSA-N
Mol Weight 313.44 g/mol
Molecular Formula C17H31NO4
Exact Mass 313.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2RahO4MYD2
Name (2R/S,5S)-5-(tert-Butoxycarbonylamino)-2-isopropyl]-6-methyl-hept-3-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31NO4
InChI InChI=1S/C17H31NO4/c1-11(2)13(15(19)21-8)9-10-14(12(3)4)18-16(20)22-17(5,6)7/h9-14H,1-8H3,(H,18,20)/b10-9+/t13-,14+/m0/s1
InChIKey GZIFGVAOWHQLIV-XACNLCELSA-N
Molecular Weight 313.438 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C=C\[C@](C(=O)OC)(C(C)C)[H])(C(C)C)[H]
SPLASH splash10-0084-5690000000-efaa4225ba18bd344a8c
Source of Spectrum KC-0-363-11
Synonyms Methyl (2R,3E,5S)-5-[(tert-butoxycarbonyl)amino]-2-isopropyl-6-methyl-3-heptenoate (E,2R,5S)-6-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propan-2-yl-3-heptenoic acid methyl ester Methyl (E,2R,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhept-3-enoate Methyl (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-isopropyl-6-methyl-hept-3-enoate Methyl (E,2R,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-yl-hept-3-enoate
Wiley ID 824226