(-)-[1-(HYDROXYMETHYL)-3-METHYLBUTYL]CARBAMIC ACID, PENTAMOLECULAR ESTER, METHYL ESTER, ACETATE (ESTER)

SpectraBase Compound ID	3JKWZGREEbY
InChI	InChI=1S/C38H71N5O12/c1-23(2)13-29(18-51-28(11)44)40-35(46)53-20-31(15-25(5)6)42-37(48)55-22-33(17-27(9)10)43-38(49)54-21-32(16-26(7)8)41-36(47)52-19-30(14-24(3)4)39-34(45)50-12/h23-27,29-33H,13-22H2,1-12H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,43,49)
InChIKey	SYOGPDZEUOLIKJ-UHFFFAOYSA-N Google Search
Mol Weight	790.0 g/mol
Molecular Formula	C38H71N5O12
Exact Mass	789.509923 g/mol

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SpectraBase Spectrum ID	DBihaRvnpH3
Name	(-)-[1-(HYDROXYMETHYL)-3-METHYLBUTYL]CARBAMIC ACID, PENTAMOLECULAR ESTER, METHYL ESTER, ACETATE (ESTER)
Source of Sample	Y. Iwakura & K. Iwata, University of Tokyo, Tokyo, Japan
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H71N5O12
InChI	InChI=1S/C38H71N5O12/c1-23(2)13-29(18-51-28(11)44)40-35(46)53-20-31(15-25(5)6)42-37(48)55-22-33(17-27(9)10)43-38(49)54-21-32(16-26(7)8)41-36(47)52-19-30(14-24(3)4)39-34(45)50-12/h23-27,29-33H,13-22H2,1-12H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)(H,43,49)
InChIKey	SYOGPDZEUOLIKJ-UHFFFAOYSA-N
Literature Reference	Abstract-Chemical Abstracts= 67, 109125(1967)
Melting Point	149-150C
Molecular Weight	790.008972
Synonyms	CARBAMIC ACID, /1-/HYDROXYMETHYL/- 3-METHYLBUTYL/-, PENTAMOLECULAR ESTER, METHYL ESTER, ACETATE /ESTER/, /MINUS/-,
Technique	FILM (CAST FROM CHCl3)